UCSF

ZINC42746938

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) 2.19 4.66 -98.3 4 3 2 41 232.412 7
Hi High (pH 8-9.5) 2.19 5.21 -35.84 3 3 1 44 231.404 7
Hi High (pH 8-9.5) 2.19 3.45 -31.5 3 3 1 37 231.404 7

Activity (Go SEA)

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