UCSF

ZINC31933232

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 15 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) 2.19 7.73 -41.71 1 3 1 22 224.715 2
Mid Mid (pH 6-8) 2.19 5.2 -6.24 0 3 0 21 223.707 2
Lo Low (pH 4.5-6) 2.19 8.13 -91.49 2 3 2 23 225.723 2

Activity (Go SEA)

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