UCSF

ZINC44513183

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 14 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) -1.25 3.68 -107.04 4 4 2 58 200.282 2
Hi High (pH 8-9.5) -1.25 1.35 -48.56 3 4 1 57 199.274 2

Activity (Go SEA)

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