UCSF

ZINC36378470

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 23 Yes

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) -0.88 -0.67 -73.34 4 10 0 145 324.341 8
Mid Mid (pH 6-8) -0.88 -1.03 -48.83 3 10 -1 144 323.333 8
Lo Low (pH 4.5-6) -0.88 -0.75 -58.81 5 10 1 148 325.349 8

Activity (Go SEA)

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