UCSF

ZINC38591451

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 17 No

Popular Name: [(9aR)-2-methylsulfanyl-6,7,8,9a-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl]hydrazine [(9aR)-2-methylsulfanyl-6,7,8,9a…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.45 1.33 -22.52 3 5 0 79 249.343 2 ↓
Hi High (pH 8-9.5) 1.28 1.49 -40.22 2 5 -1 77 248.335 1 ↓
Mid Mid (pH 6-8) 0.45 1.52 -40.56 2 5 -1 77 248.335 2 ↓
Lo Low (pH 4.5-6) 1.28 2.06 -33.11 4 5 1 77 250.351 1 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.