UCSF

ZINC33933490

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 28 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) -0.68 6.67 -25.61 3 8 0 124 390.436 7
Hi High (pH 8-9.5) -0.68 5.73 -55.42 2 8 -1 119 389.428 7
Mid Mid (pH 6-8) -0.68 5.35 -52.36 2 8 -1 119 389.428 7

Activity (Go SEA)

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