UCSF

ZINC31933009

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 17 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) 3.29 9.3 -42.19 1 3 1 22 232.351 3
Mid Mid (pH 6-8) 3.29 7.43 -8.78 0 3 0 21 231.343 3
Mid Mid (pH 6-8) 3.29 9.7 -85.57 2 3 2 23 233.359 3

Activity (Go SEA)

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