UCSF

ZINC05729812

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 24 No

Other Names:

MFCD00396575

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) 1.98 3.66 -21.37 2 7 0 93 325.324 4
Ref Reference (pH 7) 1.98 3.82 -14.51 2 7 0 93 325.324 4
Hi High (pH 8-9.5) 2.44 1.76 -59.77 1 7 -1 96 324.316 4
Hi High (pH 8-9.5) 2.44 2.08 -46.86 1 7 -1 96 324.316 4

Activity (Go SEA)

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