UCSF

ZINC45628909

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 2.17 1.6 -8.72 3 4 0 72 272.395 4
Lo Low (pH 4.5-6) 2.17 1.45 -55.07 4 4 1 74 273.403 4

Activity (Go SEA)

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