UCSF

ZINC34433310

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 23 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.91 4.98 -81.17 2 7 0 103 342.417 5
Mid Mid (pH 6-8) 1.91 3.79 -58.13 1 7 -1 99 341.409 5

Activity (Go SEA)

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