UCSF

ZINC41680081

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 1.87 6.25 -46.88 3 5 1 55 292.403 6
Hi High (pH 8-9.5) 2.06 3.44 -31.29 2 5 0 61 291.395 6

Activity (Go SEA)

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