UCSF

ZINC34676200

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 18 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) 1.38 3.62 -31.72 3 4 1 55 247.318 3
Mid Mid (pH 6-8) 1.38 2.48 -5.93 2 4 0 50 246.31 3

Activity (Go SEA)

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