UCSF

ZINC42852761

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 40 No

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) 7.26 19.67 -64.88 0 7 -1 90 534.588 8
Lo Low (pH 4.5-6) 7.26 18.77 -23.85 1 7 0 93 535.596 8

Activity (Go SEA)

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