UCSF

ZINC40153139

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2010 30 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) 4.20 11.71 -17.8 0 6 0 84 392.418 3
Lo Low (pH 4.5-6) 4.20 12.5 -46.04 1 6 1 85 393.426 3

Activity (Go SEA)

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