UCSF

ZINC53130119

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 15 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) -0.08 5.02 -11.83 0 4 0 56 199.213 3
Lo Low (pH 4.5-6) -0.08 5.49 -40.17 1 4 1 57 200.221 3

Activity (Go SEA)

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