UCSF

ZINC43402319

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 0.72 0.95 -91.77 4 6 2 80 258.366 7
Hi High (pH 8-9.5) 0.72 0.71 -35.13 3 6 1 79 257.358 7

Activity (Go SEA)

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