UCSF

ZINC26473378

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.23 7.35 -42.8 1 6 -1 91 292.34 7
Hi High (pH 8-9.5) 2.23 6.45 -102.61 0 6 -2 89 291.332 7
Mid Mid (pH 6-8) 2.23 7.42 -45.21 1 6 -1 91 292.34 7

Activity (Go SEA)

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