UCSF

ZINC31909430

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 24 Yes

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) 2.32 7.02 -11.94 2 5 0 56 322.412 3
Mid Mid (pH 6-8) 2.32 7.43 -27.61 3 5 1 57 323.42 3
Lo Low (pH 4.5-6) 2.32 8.87 -89.84 4 5 2 58 324.428 3

Activity (Go SEA)

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