UCSF

ZINC43705085

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 19 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) 1.72 5.29 -52.12 2 4 1 44 264.324 2
Mid Mid (pH 6-8) 1.72 3.92 -9.89 1 4 0 39 263.316 2

Activity (Go SEA)

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