UCSF

ZINC36745214

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 20 Yes

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) 0.62 0.8 -60.97 4 6 1 95 301.388 5
Hi High (pH 8-9.5) 0.62 -0.33 -15.23 3 6 0 91 300.38 5

Activity (Go SEA)

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