UCSF

ZINC20093857

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 20 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) 3.16 10.81 -134.68 3 2 2 21 270.42 7
Hi High (pH 8-9.5) 3.16 8.73 -2.91 1 2 0 15 268.404 7
Hi High (pH 8-9.5) 3.16 11.05 -34.18 2 2 1 16 269.412 7
Mid Mid (pH 6-8) 3.16 8.67 -43.49 2 2 1 20 269.412 7

Activity (Go SEA)

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