UCSF

ZINC22087305

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 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) 3.47 5.4 -13.59 2 4 0 62 282.752 2
Hi High (pH 8-9.5) 2.99 5.6 -120.85 0 4 -2 71 280.736 2
Mid Mid (pH 6-8) 4.40 5.89 -53.96 1 4 -1 68 281.744 1

Activity (Go SEA)

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