UCSF

ZINC58156938

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2011 30 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) 3.56 10.5 -48.92 3 7 1 80 412.558 7
Mid Mid (pH 6-8) 3.56 8.32 -14.43 2 7 0 79 411.55 7

Activity (Go SEA)

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