UCSF

ZINC38000906

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 16 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) 1.94 4.13 -40.31 4 3 1 60 239.726 5
Mid Mid (pH 6-8) 1.94 3.08 -9.51 3 3 0 55 238.718 5

Activity (Go SEA)

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