UCSF

ZINC12247032

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2008 33 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) 2.93 -1.56 -16 1 6 0 72 447.51 7
Lo Low (pH 4.5-6) 2.93 -1.5 -47.44 2 6 1 73 448.518 7

Activity (Go SEA)

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