UCSF

ZINC41648950

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 21 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) 5.97 12.02 -44.61 2 1 1 17 477.058 5
Mid Mid (pH 6-8) 5.97 11.42 -3.18 1 1 0 12 476.05 5

Activity (Go SEA)

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