UCSF

ZINC55080320

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 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) 2.79 6.87 -36.33 1 3 1 21 302.895 5
Hi High (pH 8-9.5) 2.79 4.88 -4.74 0 3 0 19 301.887 5

Activity (Go SEA)

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