UCSF

ZINC34588619

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 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) 0.83 1.08 -29.53 3 7 0 129 264.213 2
Hi High (pH 8-9.5) 0.60 3.22 -208.03 1 7 -3 128 262.197 2
Mid Mid (pH 6-8) 0.83 2.01 -101.89 2 7 -2 126 263.205 2

Activity (Go SEA)

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