UCSF

ZINC44511001

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 15 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) 0.45 4.93 -102.51 4 3 2 42 214.353 8
Hi High (pH 8-9.5) 0.45 3.57 -35.7 3 3 1 38 213.345 8
Hi High (pH 8-9.5) 0.45 3.63 -38.32 3 3 1 38 213.345 8

Activity (Go SEA)

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