UCSF

ZINC43979712

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 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) 2.90 5.36 -41.34 2 4 1 38 305.32 7
Hi High (pH 8-9.5) 2.90 3.6 -6.91 1 4 0 34 304.312 7

Activity (Go SEA)

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