UCSF

ZINC43474691

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 2.64 2.68 -47.58 4 4 1 70 285.367 4
Hi High (pH 8-9.5) 2.64 2.28 -9.1 3 4 0 68 284.359 4

Activity (Go SEA)

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