UCSF

ZINC37100663

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 3.68 6.51 -0.72 2 2 0 20 241.443 5
Lo Low (pH 4.5-6) 3.68 8.74 -40.81 3 2 0 21 242.451 5

Activity (Go SEA)

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