UCSF

ZINC37098018

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 2.79 8.01 -122.41 4 2 2 32 244.382 5
Mid Mid (pH 6-8) 2.79 6.06 -44.63 3 2 1 31 243.374 5
Mid Mid (pH 6-8) 2.79 7.65 -35.73 3 2 1 30 243.374 5

Activity (Go SEA)

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