UCSF

ZINC43423609

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 1.16 0.48 -7.8 3 5 0 68 292.379 5
Mid Mid (pH 6-8) 1.16 2.79 -39.57 4 5 1 69 293.387 5

Activity (Go SEA)

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