UCSF

ZINC34830425

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 38 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) 4.08 13.54 -43.51 1 7 1 64 532.686 4
Mid Mid (pH 6-8) 4.08 11.9 -14.02 0 7 0 62 531.678 4

Activity (Go SEA)

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