UCSF

ZINC37689214

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 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) 0.72 3.02 -33.61 3 3 1 37 221.324 3
Lo Low (pH 4.5-6) 0.72 2.08 -38.15 3 3 1 40 221.324 3

Activity (Go SEA)

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