UCSF

ZINC15834484

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 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) 4.22 10.82 -12.34 1 6 0 92 395.484 7
Lo Low (pH 4.5-6) 4.22 11.03 -40.55 2 6 1 93 396.492 7

Activity (Go SEA)

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