UCSF

ZINC42449851

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 3.09 8.99 -31.35 1 4 1 54 255.345 4
Mid Mid (pH 6-8) 3.09 8.85 -11.14 0 4 0 53 254.337 4

Activity (Go SEA)

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