UCSF

ZINC29134913

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 38 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) 5.92 17.21 -42.67 3 3 0 68 515.678 9
Hi High (pH 8-9.5) 5.92 16.89 -50.71 2 3 -1 66 514.67 9

Activity (Go SEA)

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