UCSF

ZINC11912705

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2008 34 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) 2.70 0.34 -16.12 0 7 0 70 462.546 10
Lo Low (pH 4.5-6) 2.70 0.38 -37.45 1 7 1 71 463.554 10

Activity (Go SEA)

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