UCSF

ZINC16695916

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 25 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) 3.98 4.66 -10.62 2 6 0 84 356.403 4
Mid Mid (pH 6-8) 3.49 4.18 -46.25 1 6 -1 83 355.395 5
Lo Low (pH 4.5-6) 3.49 4.62 -19.08 2 6 0 81 356.403 5

Activity (Go SEA)

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