UCSF

ZINC17028569

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 25 No

Other Names:

MFCD00653362

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) 1.43 1.52 -47.8 1 7 -1 104 337.311 3
Hi High (pH 8-9.5) 1.43 2.44 -102.83 0 7 -2 107 336.303 3
Hi High (pH 8-9.5) 1.43 2.55 -103.23 0 7 -2 107 336.303 3
Lo Low (pH 4.5-6) 0.97 4.18 -11.98 2 7 0 101 338.319 3

Activity (Go SEA)

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