UCSF

ZINC22056453

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 32 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) 4.25 10.66 -56.68 2 6 1 76 441.592 12
Hi High (pH 8-9.5) 4.25 8.28 -14.87 1 6 0 75 440.584 12

Activity (Go SEA)

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