UCSF

ZINC05045082

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2006 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) 3.06 8.09 -62.29 0 6 -1 79 392.431 9
Mid Mid (pH 6-8) 3.51 -0.15 -26.06 1 6 0 76 393.439 8
Mid Mid (pH 6-8) 2.48 0.16 -20.68 0 6 0 72 393.439 9

Activity (Go SEA)

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