UCSF

ZINC16805795

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2008 33 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) 4.85 13.38 -51.1 0 5 -1 70 444.482 8
Mid Mid (pH 6-8) 5.30 11.54 -26.11 1 5 0 67 445.49 7
Mid Mid (pH 6-8) 4.27 12.51 -18.04 0 5 0 64 445.49 8

Activity (Go SEA)

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