UCSF

ZINC31932849

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) 2.00 6.71 -65.5 3 5 1 63 326.42 5
Mid Mid (pH 6-8) 2.00 7.11 -102.67 4 5 2 65 327.428 5

Activity (Go SEA)

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