UCSF

ZINC03059170

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 19 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) 1.60 8.25 -56.63 1 5 -1 78 297.381 6
Mid Mid (pH 6-8) 2.05 6.9 -100.39 0 5 -2 81 296.373 6
Lo Low (pH 4.5-6) 1.60 6.28 -15.82 2 5 0 75 298.389 6

Activity (Go SEA)

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