UCSF

ZINC41933667

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2010 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.03 4.3 -16.42 2 7 0 84 334.42 8
Mid Mid (pH 6-8) 1.03 4.64 -41.73 3 7 1 85 335.428 8

Activity (Go SEA)

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