UCSF

ZINC37351983

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 21 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) 3.67 8.36 -8.31 2 3 0 44 285.297 2
Lo Low (pH 4.5-6) 3.67 8.55 -30.43 3 3 1 45 286.305 2

Activity (Go SEA)

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