UCSF

ZINC37145800

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 4.64 11.84 -47.99 1 2 1 28 283.439 2
Hi High (pH 8-9.5) 4.64 10.67 -5.54 0 2 0 27 282.431 2

Activity (Go SEA)

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