UCSF

ZINC12348388

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2008 31 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) 4.19 3.92 -50.73 1 8 -1 109 447.443 9
Lo Low (pH 4.5-6) 3.74 5.34 -18 2 8 0 106 448.451 9

Activity (Go SEA)

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