UCSF

ZINC12608190

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 32 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) 2.48 6.72 -19.22 1 7 0 59 439.535 6
Lo Low (pH 4.5-6) 2.48 8.87 -57.54 2 7 1 60 440.543 6

Activity (Go SEA)

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