UCSF

ZINC39300974

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.79 12.01 -49.55 3 7 1 75 474.427 7
Mid Mid (pH 6-8) 3.79 12.64 -88.61 4 7 2 76 475.435 7

Activity (Go SEA)

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