UCSF

ZINC71200930

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2011 17 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) 3.08 7.29 -30.34 2 2 1 16 298.248 4
Mid Mid (pH 6-8) 3.08 6.05 -36.45 2 2 1 20 298.248 4
Lo Low (pH 4.5-6) 3.08 8.45 -105.56 3 2 2 21 299.256 4

Activity (Go SEA)

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