UCSF

ZINC20419999

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 16 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) 0.54 0.7 -43.37 4 4 1 60 230.376 7
Hi High (pH 8-9.5) 0.54 2.59 -35.92 4 4 1 60 230.376 7
Mid Mid (pH 6-8) 0.54 2.96 -100.17 5 4 2 61 231.384 7

Activity (Go SEA)

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