UCSF

ZINC41678736

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 2.40 7.53 -29.41 1 4 0 45 297.449 5
Mid Mid (pH 6-8) 1.94 8.69 -30.63 2 4 1 42 298.457 5

Activity (Go SEA)

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