UCSF

ZINC27417690

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 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) 0.10 6.5 -99.83 3 6 0 93 403.36 3
Lo Low (pH 4.5-6) -2.65 5.54 -73.87 4 6 1 96 404.368 2

Activity (Go SEA)

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