UCSF

ZINC06333878

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2006 13 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) 1.54 3.79 -43.17 0 3 -1 49 210.259 1
Mid Mid (pH 6-8) 1.08 4.89 -11.1 1 3 0 46 211.267 1

Activity (Go SEA)

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