UCSF

ZINC43619409

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 34 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) 4.42 15.1 -99.08 2 6 2 55 485.742 5
Hi High (pH 8-9.5) 4.42 13.11 -39.49 1 6 1 54 484.734 5

Activity (Go SEA)

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