UCSF

ZINC48584509

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 17 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) 2.27 7.28 -38.64 1 4 1 40 258.725 6
Mid Mid (pH 6-8) 2.27 5.01 -7.51 0 4 0 39 257.717 6

Activity (Go SEA)

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