UCSF

ZINC23053525

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 28 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) 4.43 8.87 -22.76 1 6 0 73 440.352 5
Hi High (pH 8-9.5) 4.43 8.94 -59.98 0 6 -1 75 439.344 5

Activity (Go SEA)

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