UCSF

ZINC23489376

Substance Information

In ZINC since Heavy atoms Benign functionality
January 3rd, 2009 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) 4.56 8.3 -14.09 2 5 0 75 430.476 6
Mid Mid (pH 6-8) 4.56 8.37 -35.71 1 5 -1 77 429.468 6

Activity (Go SEA)

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