UCSF

ZINC31960125

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) -0.24 0.3 -52.8 3 7 -1 114 266.277 7
Mid Mid (pH 6-8) -0.24 0.76 -72.59 4 7 0 116 267.285 7
Lo Low (pH 4.5-6) -0.24 -0.36 -46.68 5 7 1 113 268.293 7

Activity (Go SEA)

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