UCSF

ZINC04535539

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 21 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) -0.21 -1.13 -18.52 1 6 0 79 290.319 6
Mid Mid (pH 6-8) -0.79 -1.35 -30.83 0 6 0 76 290.319 6
Lo Low (pH 4.5-6) -0.21 -1.02 -59.1 2 6 1 80 291.327 5

Activity (Go SEA)

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