UCSF

ZINC34853116

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 13 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) 0.26 2.62 -85.62 3 3 2 24 183.299 1
Hi High (pH 8-9.5) 0.26 -1.33 -1.73 1 3 0 19 181.283 1
Mid Mid (pH 6-8) 0.26 0.93 -30.6 2 3 1 20 182.291 1

Activity (Go SEA)

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