UCSF

ZINC37247793

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) 4.09 6.36 -49.79 3 3 1 46 329.258 5
Hi High (pH 8-9.5) 4.09 7.28 -62.91 2 3 0 49 328.25 5

Activity (Go SEA)

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