UCSF

ZINC19507657

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 12 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) -0.69 0.55 -10.99 1 4 0 42 172.228 2
Mid Mid (pH 6-8) -0.69 1.95 -55.09 2 4 1 46 173.236 2

Activity (Go SEA)

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