UCSF

ZINC42685609

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.44 8.34 -48.43 2 4 1 43 325.86 7
Mid Mid (pH 6-8) 3.44 6.1 -11.51 1 4 0 42 324.852 7

Activity (Go SEA)

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