UCSF

ZINC05765252

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 21 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) 6.11 10.93 -10.05 0 1 0 13 271.363 0
Mid Mid (pH 6-8) 6.11 11.29 -23.07 1 1 1 14 272.371 0

Activity (Go SEA)

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