UCSF

ZINC09240331

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 30 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) 3.77 10.18 -60.74 0 5 -1 73 462.323 5
Mid Mid (pH 6-8) 4.22 9.69 -17.06 1 5 0 71 463.331 4
Mid Mid (pH 6-8) 3.19 -0.96 -13.17 0 5 0 67 463.331 5
Lo Low (pH 4.5-6) 4.22 9.97 -38.08 2 5 1 72 464.339 4
Lo Low (pH 4.5-6) 3.19 -0.85 -38.04 1 5 1 68 464.339 5

Activity (Go SEA)

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