UCSF

ZINC00278809

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2005 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) 2.97 8.41 -43.69 1 4 1 34 255.382 4
Mid Mid (pH 6-8) 2.97 6.48 -5.39 0 4 0 33 254.374 4

Activity (Go SEA)

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