UCSF

ZINC13719762

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 32 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) -0.64 -2.7 -53.16 6 10 -1 184 463.85 2
Hi High (pH 8-9.5) -0.20 1.86 -198.49 5 10 -2 191 462.842 2
Hi High (pH 8-9.5) -0.64 -1.69 -111.16 5 10 -2 187 462.842 2
Hi High (pH 8-9.5) -0.64 -0.44 -222.44 4 10 -3 190 461.834 2
Mid Mid (pH 6-8) -0.64 -1.43 -128.07 5 10 -2 187 462.842 2
Mid Mid (pH 6-8) -0.64 0.7 -116.85 6 10 -1 188 463.85 2
Mid Mid (pH 6-8) -0.64 -0.29 -53.15 7 10 0 186 464.858 2

Activity (Go SEA)

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