UCSF

ZINC49114706

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2010 25 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) 4.13 4.15 -46.84 5 4 1 77 344.475 10
Hi High (pH 8-9.5) 4.13 3.79 -7.89 4 4 0 76 343.467 10

Activity (Go SEA)

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