UCSF

ZINC03900470

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 23 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) -2.54 -0.07 -90.38 6 9 2 123 334.417 4
Hi High (pH 8-9.5) -2.54 -6.49 -12.15 4 9 0 120 332.401 4
Mid Mid (pH 6-8) -2.54 -4.68 -43.94 5 9 1 122 333.409 4

Activity (Go SEA)

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