UCSF

ZINC34526017

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 19 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) 2.63 5.61 -6.32 3 4 0 68 301.173 5
Mid Mid (pH 6-8) 2.63 5.91 -46.18 4 4 1 70 302.181 5

Activity (Go SEA)

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