UCSF

ZINC43424643

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 0.74 2.91 -111.98 4 4 2 45 269.433 3
Hi High (pH 8-9.5) 0.74 2.24 -37.44 3 4 1 43 268.425 3

Activity (Go SEA)

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