UCSF

ZINC37236773

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 19 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) 1.77 4.62 -38.54 2 3 1 23 264.437 4
Lo Low (pH 4.5-6) 1.77 6.82 -105.04 3 3 2 24 265.445 4

Activity (Go SEA)

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