UCSF

ZINC42449354

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 1.69 4.03 -44.12 3 3 1 44 237.367 4
Mid Mid (pH 6-8) 1.69 5.93 -121.4 4 3 2 45 238.375 4

Activity (Go SEA)

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