UCSF

ZINC50523561

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2010 14 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) -0.47 0.35 -126.85 6 3 2 64 200.257 5
Hi High (pH 8-9.5) -0.47 -0.03 -44.5 5 3 1 63 199.249 5

Activity (Go SEA)

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