UCSF

ZINC39729437

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 36 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) 1.84 10.02 -36.24 1 7 1 66 527.736 8
Mid Mid (pH 6-8) 1.84 12.4 -110.03 2 7 2 67 528.744 8

Activity (Go SEA)

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