UCSF

ZINC21261500

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 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) 4.66 9.33 -9.67 1 6 0 60 461.385 6
Lo Low (pH 4.5-6) 4.66 9.8 -33.26 2 6 1 61 462.393 6

Activity (Go SEA)

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