UCSF

ZINC48621701

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 18 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) 1.86 2.78 -37.05 2 5 1 52 254.306 5
Hi High (pH 8-9.5) 1.86 3.62 -28.65 1 5 0 55 253.298 5

Activity (Go SEA)

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