UCSF

ZINC42458295

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 No

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) 1.40 6.05 -9.46 2 4 0 55 252.387 5
Mid Mid (pH 6-8) 1.40 6.75 -32.54 3 4 1 56 253.395 5

Activity (Go SEA)

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