UCSF

ZINC33847518

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2009 14 No

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) 2.90 3.75 -48.66 1 3 -1 60 232.042 2
Mid Mid (pH 6-8) 2.90 4.4 -90.97 0 3 -2 63 231.034 2

Activity (Go SEA)

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