UCSF

ZINC44646723

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 16 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) 0.40 5.84 -87.24 3 4 2 41 229.368 5
Hi High (pH 8-9.5) 0.40 4.49 -40.52 2 4 1 37 228.36 5

Activity (Go SEA)

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