UCSF

ZINC20093799

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 21 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) 3.17 9.57 -35.34 2 3 1 26 285.411 7
Hi High (pH 8-9.5) 3.17 5.36 -4.22 1 3 0 24 284.403 7
Mid Mid (pH 6-8) 3.17 7.62 -43.65 2 3 1 29 285.411 7

Activity (Go SEA)

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