UCSF

ZINC44352034

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 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) 1.63 5.27 -51.66 2 4 1 57 224.328 4
Hi High (pH 8-9.5) 1.49 3.35 -34.2 1 4 0 64 223.32 4

Activity (Go SEA)

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