UCSF

ZINC42880534

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 21 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) 4.22 5.7 -46.3 3 4 1 55 292.399 5
Hi High (pH 8-9.5) 4.22 6.36 -31.84 2 4 0 58 291.391 5

Activity (Go SEA)

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