UCSF

ZINC43461691

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 20 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) 1.79 7.85 -91.2 3 4 2 34 283.391 5
Hi High (pH 8-9.5) 1.79 5.39 -39.52 2 4 1 32 282.383 5

Activity (Go SEA)

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