UCSF

ZINC25384894

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 29 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) 1.97 4.83 -14.75 2 7 0 80 397.475 9
Lo Low (pH 4.5-6) 1.97 7.19 -53.48 3 7 1 81 398.483 9

Activity (Go SEA)

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