UCSF

ZINC15254552

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2008 22 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) 1.99 4.93 -8.24 0 7 0 77 308.334 3
Lo Low (pH 4.5-6) 1.99 7.27 -44.38 1 7 1 78 309.342 3

Activity (Go SEA)

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