UCSF

ZINC36771050

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 17 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) 0.32 1.11 -41.47 3 4 1 53 238.355 7
Mid Mid (pH 6-8) 0.32 3.99 -44.69 3 4 1 57 238.355 7

Activity (Go SEA)

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