UCSF

ZINC42483865

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 1.72 0.99 -11.58 3 5 0 84 292.426 7
Lo Low (pH 4.5-6) 1.72 0.84 -56.01 4 5 1 85 293.434 7

Activity (Go SEA)

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