UCSF

ZINC43411911

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 1.46 4.37 -67.53 2 6 0 91 320.436 7
Hi High (pH 8-9.5) 1.46 3.98 -76.3 1 6 -1 93 319.428 7
Hi High (pH 8-9.5) 1.46 2.05 -46.64 1 6 -1 90 319.428 7

Activity (Go SEA)

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