UCSF

ZINC44725194

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 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) -0.23 1.33 -8.65 1 5 0 57 205.254 10
Mid Mid (pH 6-8) -0.23 2.76 -40.69 2 5 1 61 206.262 10

Activity (Go SEA)

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