UCSF

ZINC34972175

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 15 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) 1.41 5.52 -43.18 2 5 -1 81 216.249 1
Mid Mid (pH 6-8) 0.68 5.54 -12.63 3 5 0 83 217.257 1

Activity (Go SEA)

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