UCSF

ZINC36888388

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 21 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) 2.89 7.37 -60.49 3 5 1 83 295.265 5
Hi High (pH 8-9.5) 2.89 6.97 -10.33 2 5 0 81 294.257 5

Activity (Go SEA)

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