UCSF

ZINC06295126

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2006 24 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) 5.07 11.14 -10.13 1 3 0 46 336.46 6
Mid Mid (pH 6-8) 5.52 9.26 -50.35 0 3 -1 49 335.452 6

Activity (Go SEA)

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