UCSF

ZINC34941263

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 34 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) 3.82 8.49 -57.62 0 7 -1 82 483.972 9
Mid Mid (pH 6-8) 3.82 10.75 -73.68 1 7 0 83 484.98 9
Lo Low (pH 4.5-6) 3.82 9.99 -57.13 2 7 1 81 485.988 9

Activity (Go SEA)

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