UCSF

ZINC23070648

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 16 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 6.47 -106.4 4 3 2 47 215.3 1
Hi High (pH 8-9.5) -0.82 5.85 -5.75 2 3 0 44 213.284 1
Mid Mid (pH 6-8) -0.82 6.04 -46.77 3 3 1 45 214.292 1

Activity (Go SEA)

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