UCSF

ZINC04028405

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2005 30 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) 4.04 12.33 -47.29 2 4 1 51 412.594 6
Hi High (pH 8-9.5) 4.04 10.43 -10.1 1 4 0 50 411.586 6

Activity (Go SEA)

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