UCSF

ZINC37096881

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 1.63 6.11 -49.88 3 4 1 49 285.415 7
Lo Low (pH 4.5-6) 1.63 8.02 -129.52 4 4 2 50 286.423 7

Activity (Go SEA)

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