UCSF

ZINC37795764

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.04 8.95 -61.04 1 6 -1 87 286.311 7
Mid Mid (pH 6-8) 1.04 9.46 -79.35 2 6 0 88 287.319 7

Activity (Go SEA)

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