UCSF

ZINC00540847

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 24 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) 3.29 12.67 -14.07 1 5 0 60 322.412 2
Mid Mid (pH 6-8) 3.47 13.25 -50.52 2 5 1 64 323.42 2

Activity (Go SEA)

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