UCSF

ZINC45696529

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.07 1.7 -41.43 2 6 1 57 279.43 7
Hi High (pH 8-9.5) -0.07 -0.77 -7.96 1 6 0 56 278.422 7
Mid Mid (pH 6-8) -0.07 2.82 -101.92 3 6 2 62 280.438 7

Activity (Go SEA)

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