UCSF

ZINC34874806

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 20 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) 3.39 6.04 -45.95 4 3 1 52 289.786 2
Mid Mid (pH 6-8) 3.39 4.71 -5.23 3 3 0 47 288.778 2

Activity (Go SEA)

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