UCSF

ZINC34419156

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 15 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) -1.68 4.91 -83.31 4 4 1 72 209.269 5
Hi High (pH 8-9.5) -1.68 2.55 -43.55 2 4 -1 69 207.253 5
Hi High (pH 8-9.5) -1.68 4.53 -25.42 3 4 0 71 208.261 5
Mid Mid (pH 6-8) -1.68 2.99 -51.12 3 4 0 71 208.261 5

Activity (Go SEA)

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