UCSF

ZINC08817534

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 31 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) 4.77 11.67 -60.68 0 5 -1 73 429.452 4
Mid Mid (pH 6-8) 4.19 -0.02 -11.82 0 5 0 67 430.46 4
Lo Low (pH 4.5-6) 4.77 10.85 -16.37 1 5 0 71 430.46 4

Activity (Go SEA)

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