UCSF

ZINC19367270

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 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) 2.22 6.37 -34.82 1 3 1 11 292.422 3
Mid Mid (pH 6-8) 2.22 6.41 -43.39 1 3 1 11 292.422 3
Mid Mid (pH 6-8) 2.22 8.67 -111.59 2 3 2 12 293.43 3

Activity (Go SEA)

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