UCSF

ZINC43260385

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 0.82 -1.25 -48.87 4 4 1 54 335.291 5
Hi High (pH 8-9.5) 0.82 -1.62 -4.56 3 4 0 53 334.283 5
Mid Mid (pH 6-8) 0.82 1.08 -100.68 5 4 2 56 336.299 5

Activity (Go SEA)

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