UCSF

ZINC43477887

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 18 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) 2.94 7.95 -84.52 3 3 2 30 272.82 8
Hi High (pH 8-9.5) 2.94 5.47 -43.26 2 3 1 29 271.812 8

Activity (Go SEA)

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