UCSF

ZINC42903442

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 20 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) 2.82 7.12 -42.79 3 3 1 46 272.368 5
Hi High (pH 8-9.5) 2.82 6.88 -5.82 2 3 0 44 271.36 5

Activity (Go SEA)

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