UCSF

ZINC43263147

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 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) 3.25 4.82 -43.45 3 2 1 31 358.247 6
Hi High (pH 8-9.5) 3.25 4.52 -2.8 2 2 0 29 357.239 6

Activity (Go SEA)

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