UCSF

ZINC42453309

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 19 No

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) 1.43 5.1 -9.04 3 6 0 88 259.313 5
Mid Mid (pH 6-8) 1.43 5.57 -32.28 4 6 1 89 260.321 5

Activity (Go SEA)

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