UCSF

ZINC16137273

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2008 23 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) 4.62 9.5 -10.88 1 4 0 50 363.273 4
Lo Low (pH 4.5-6) 4.62 9.79 -40.32 2 4 1 51 364.281 4

Activity (Go SEA)

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