UCSF

ZINC45688937

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 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) 2.83 5.66 -30.67 4 3 1 42 258.336 6
Hi High (pH 8-9.5) 2.83 3.12 -3.1 3 3 0 41 257.328 6

Activity (Go SEA)

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