UCSF

ZINC39728171

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 30 No

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) 3.39 9.48 -61.15 0 6 -1 79 410.49 7
Mid Mid (pH 6-8) 3.39 8.73 -12.37 1 6 0 76 411.498 7

Activity (Go SEA)

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