UCSF

ZINC39281087

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 22 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) 1.04 1.32 -54 1 7 -1 99 327.382 7
Mid Mid (pH 6-8) 1.04 3.6 -80.25 2 7 0 100 328.39 7

Activity (Go SEA)

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