UCSF

ZINC06786362

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 28 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) 2.30 8.25 -58.06 0 8 -1 115 381.364 7
Mid Mid (pH 6-8) 2.74 0.77 -20.48 1 8 0 112 382.372 6
Mid Mid (pH 6-8) 1.71 0.04 -16.75 0 8 0 109 382.372 7

Activity (Go SEA)

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