UCSF

ZINC38584433

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 5.73 13.08 -16.64 1 6 0 65 463.622 12
Mid Mid (pH 6-8) 5.73 13.38 -40.9 2 6 1 67 464.63 12

Activity (Go SEA)

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