UCSF

ZINC26439267

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 24 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) 2.55 7.84 -38.44 2 5 1 61 327.452 4
Mid Mid (pH 6-8) 2.55 7.84 -42.96 2 5 1 61 327.452 4

Activity (Go SEA)

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