UCSF

ZINC44098933

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 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) 5.05 9.27 -36.72 2 3 1 35 294.459 12
Hi High (pH 8-9.5) 5.05 8.15 -2.75 1 3 0 30 293.451 12

Activity (Go SEA)

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