UCSF

ZINC19842444

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 27 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) 3.57 10.08 -35.81 1 3 1 11 368.52 5
Mid Mid (pH 6-8) 3.57 9.89 -38.49 1 3 1 11 368.52 5
Mid Mid (pH 6-8) 3.57 12.16 -105.33 2 3 2 12 369.528 5

Activity (Go SEA)

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