UCSF

ZINC52571352

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 0.99 3.25 -32.79 2 4 1 38 233.376 11
Lo Low (pH 4.5-6) 0.99 4.81 -108.9 3 4 2 40 234.384 11

Activity (Go SEA)

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