UCSF

ZINC53130225

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 16 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) 2.19 7.03 -10.69 0 2 0 30 215.227 3
Lo Low (pH 4.5-6) 2.19 7.5 -38.54 1 2 1 31 216.235 3

Activity (Go SEA)

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