UCSF

ZINC23311893

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2008 10 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) 0.60 3.63 -29.12 1 2 1 8 141.238 1
Hi High (pH 8-9.5) 0.60 1.33 -1.85 0 2 0 6 140.23 1
Mid Mid (pH 6-8) 0.60 3.79 -31.76 1 2 1 8 141.238 1

Activity (Go SEA)

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