UCSF

ZINC42450776

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) 1.47 3.44 -6.12 2 3 0 38 244.404 5
Mid Mid (pH 6-8) 1.47 4.48 -31.82 3 3 1 40 245.412 5

Activity (Go SEA)

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