UCSF

ZINC37117932

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 17 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) 2.72 4.77 -50.63 4 3 1 57 239.383 2
Mid Mid (pH 6-8) 2.72 4.5 -4.72 3 3 0 55 238.375 2

Activity (Go SEA)

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