UCSF

ZINC60403959

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2011 20 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) 4.13 10.98 -38.82 2 2 1 20 271.428 7
Lo Low (pH 4.5-6) 4.13 10.7 -94.46 3 2 2 21 272.436 7

Activity (Go SEA)

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