UCSF

ZINC42456316

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 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) -0.15 -1.5 -11.3 2 5 0 76 199.254 6
Mid Mid (pH 6-8) -0.15 0.48 -48.57 3 5 1 78 200.262 6

Activity (Go SEA)

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