UCSF

ZINC00796037

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 29 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) 2.37 0.39 -13.55 1 6 0 83 388.423 6
Mid Mid (pH 6-8) 1.79 0.22 -18.84 0 6 0 80 388.423 6
Lo Low (pH 4.5-6) 1.79 0.34 -56.64 1 6 1 81 389.431 6
Lo Low (pH 4.5-6) 2.82 0.11 -67.68 2 6 1 84 389.431 5

Activity (Go SEA)

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