UCSF

ZINC05068133

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2006 18 Yes

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) 0.59 0.18 -33.39 3 6 0 102 267.31 4
Hi High (pH 8-9.5) 0.59 -0.23 -50.15 2 6 -1 104 266.302 4

Activity (Go SEA)

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