UCSF

ZINC03869917

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 20 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) -3.37 -7.68 -345.63 3 12 -4 215 336.082 6
Mid Mid (pH 6-8) -3.37 -8.84 -220.68 4 12 -3 212 337.09 6
Mid Mid (pH 6-8) -3.37 -8.84 -220.14 4 12 -3 212 337.09 6
Lo Low (pH 4.5-6) -3.37 -9.99 -111.63 5 12 -2 209 338.098 6

Activity (Go SEA)

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