UCSF

ZINC63933351

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 32 Yes

Popular Name: (2R,5S)-5-[(1R,9aS)-6-methoxy-2,3,4,9a-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]-3-(3-chloro-4-methyl-p (2R,5S)-5-[(1R,9aS)-6-methoxy-2,…

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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) 2.74 -2.19 -32.5 4 8 1 108 455.922 3 ↓
Mid Mid (pH 6-8) 2.74 -1.61 -45.97 3 8 0 111 454.914 3 ↓
Lo Low (pH 4.5-6) 2.74 -1.1 -102.1 5 8 2 113 456.93 3 ↓

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

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