UCSF

ZINC31946290

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 0.50 5.07 -55.59 2 5 1 54 245.306 1
Mid Mid (pH 6-8) 0.50 3.68 -12.43 1 5 0 50 244.298 1
Lo Low (pH 4.5-6) 0.50 5.47 -94.24 3 5 2 55 246.314 1

Activity (Go SEA)

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