UCSF

ZINC35017736

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 32 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -0.17 -0.38 -13.68 2 11 0 138 469.495 6
Mid Mid (pH 6-8) -0.17 0.29 -47.93 1 11 -1 140 468.487 6
Lo Low (pH 4.5-6) -0.17 1.35 -49.86 3 11 1 139 470.503 6

Activity (Go SEA)

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