UCSF

ZINC37813807

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) -0.13 3.39 -40.97 3 6 1 83 261.342 9
Hi High (pH 8-9.5) -0.13 3.11 -9.82 2 6 0 82 260.334 9

Activity (Go SEA)

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