UCSF

ZINC21662788

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 30 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) 2.64 7.74 -22.82 2 6 0 84 396.45 5
Lo Low (pH 4.5-6) 2.64 8.17 -64.5 3 6 1 85 397.458 5

Activity (Go SEA)

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