UCSF

ZINC42459839

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.23 6.68 -46.67 1 4 1 55 233.291 6
Mid Mid (pH 6-8) 1.23 4.38 -11.27 0 4 0 53 232.283 6

Activity (Go SEA)

Rings

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