UCSF

ZINC49378046

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 34 Yes

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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) 4.22 13.83 -20 0 6 0 47 454.574 6
Lo Low (pH 4.5-6) 4.22 15.42 -51.69 1 6 1 48 455.582 6

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

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