UCSF

ZINC44884218

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 17 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) -0.34 -2.14 -16.61 4 6 0 105 257.315 2
Mid Mid (pH 6-8) -0.78 -3.99 -59.02 4 6 1 103 258.323 2

Activity (Go SEA)

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