UCSF

ZINC38618236

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 26 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) 4.97 13.67 -42.97 2 3 1 44 344.482 5
Hi High (pH 8-9.5) 4.97 11.46 -10.07 1 3 0 43 343.474 5

Activity (Go SEA)

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