UCSF

ZINC53131276

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 19 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) 2.71 7.67 -46.71 2 2 1 29 263.311 5
Lo Low (pH 4.5-6) 2.71 8.13 -100.84 3 2 2 31 264.319 5

Activity (Go SEA)

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