UCSF

ZINC59796882

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2011 28 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) 2.90 8.56 -53.95 4 4 1 74 395.548 6
Mid Mid (pH 6-8) 2.90 8.25 -10.17 3 4 0 72 394.54 6

Activity (Go SEA)

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