UCSF

ZINC43423677

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) -1.70 -1.27 -49.89 4 6 1 86 242.299 3
Hi High (pH 8-9.5) -1.51 -1.25 -54.76 3 6 0 93 241.291 3
Hi High (pH 8-9.5) -1.70 -1.66 -5.29 3 6 0 85 241.291 3

Activity (Go SEA)

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