UCSF

ZINC35628815

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 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) 2.85 6.28 -116.28 4 3 2 41 250.386 5
Mid Mid (pH 6-8) 2.85 5.28 -35.16 3 3 1 37 249.378 5

Activity (Go SEA)

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