UCSF

ZINC40012074

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2010 24 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) 2.19 6.91 -40.13 2 5 1 50 349.455 5
Mid Mid (pH 6-8) 2.19 4.62 -10.72 1 5 0 48 348.447 5
Mid Mid (pH 6-8) 2.76 6.12 -33.37 2 5 1 53 349.455 4
Mid Mid (pH 6-8) 2.01 6.22 -35.22 1 5 0 56 348.447 5

Activity (Go SEA)

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