UCSF

ZINC49558952

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 21 No

Download: MOL2 SDF SMILES Flexibase

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) 4.70 11.01 -51.34 0 3 -1 31 294.403 3
Mid Mid (pH 6-8) 3.97 11.08 -10.41 1 3 0 34 295.411 3

Activity (Go SEA)

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