UCSF

ZINC43424324

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) 2.18 3.87 -45.85 3 4 1 49 291.415 6
Mid Mid (pH 6-8) 2.18 5.96 -91.43 4 4 2 51 292.423 6

Activity (Go SEA)

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