UCSF

ZINC40854029

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 21 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) 1.60 3.32 -56.2 4 5 1 75 285.323 4
Hi High (pH 8-9.5) 1.60 2.92 -10.55 3 5 0 74 284.315 4

Activity (Go SEA)

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