UCSF

ZINC08496996

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2006 27 No

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) 3.04 7.33 -18.68 2 9 0 129 368.349 5
Mid Mid (pH 6-8) 3.50 5.57 -38.49 1 9 -1 132 367.341 5

Activity (Go SEA)

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