UCSF

ZINC42767463

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 19 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) 1.30 6.52 -98.5 5 4 2 69 274.393 2
Hi High (pH 8-9.5) 1.30 6.56 -37.44 4 4 1 67 273.385 2
Hi High (pH 8-9.5) 1.30 6.2 -38.2 4 4 1 68 273.385 2

Activity (Go SEA)

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