UCSF

ZINC19819461

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 31 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) 2.12 15.07 -20.32 1 8 0 85 414.469 7
Mid Mid (pH 6-8) 2.12 15.56 -44.92 2 8 1 86 415.477 7

Activity (Go SEA)

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