UCSF

ZINC59622350

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2011 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) 1.45 5.32 -51.2 1 5 -1 87 231.268 11
Lo Low (pH 4.5-6) 1.45 3.34 -12.8 2 5 0 84 232.276 11

Activity (Go SEA)

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