UCSF

ZINC08674112

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2007 34 Yes

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) -5.17 -14.02 -298.6 17 14 4 258 500.59 6
Hi High (pH 8-9.5) -5.17 -16.07 -7.91 13 14 0 248 496.558 6
Hi High (pH 8-9.5) -5.17 -11.41 -48.17 14 14 1 250 497.566 6
Mid Mid (pH 6-8) -5.17 -13.83 -201.35 16 14 3 256 499.582 6
Mid Mid (pH 6-8) -5.17 -14.36 -190.45 16 14 3 256 499.582 6

Activity (Go SEA)

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