UCSF

ZINC21527966

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 27 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) 3.98 12.37 -46.27 2 4 1 38 364.513 8
Hi High (pH 8-9.5) 3.98 9.84 -12.82 1 4 0 37 363.505 8

Activity (Go SEA)

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