UCSF

ZINC06585599

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2006 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) 0.56 7.55 -135.53 3 10 -2 154 364.302 6
Mid Mid (pH 6-8) 0.56 6.39 -46.35 4 10 -1 151 365.31 6
Lo Low (pH 4.5-6) 0.56 6.78 -56.52 5 10 0 152 366.318 6

Activity (Go SEA)

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