UCSF

ZINC11767897

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2008 23 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) 5.05 13.94 -107.47 2 2 2 9 318.549 7
Hi High (pH 8-9.5) 5.05 12.48 -36.72 1 2 1 8 317.541 7
Mid Mid (pH 6-8) 5.05 11.73 -34.35 1 2 1 8 317.541 7

Activity (Go SEA)

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