UCSF

ZINC20573568

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 22 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) 5.17 11.19 -35.7 1 2 1 8 323.932 7
Hi High (pH 8-9.5) 5.17 8.72 -2.53 0 2 0 6 322.924 7
Mid Mid (pH 6-8) 5.17 11.06 -41.6 1 2 1 8 323.932 7

Activity (Go SEA)

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