UCSF

ZINC15781594

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 12 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) 2.65 6.7 -4.7 0 1 0 13 159.232 1
Lo Low (pH 4.5-6) 2.65 6.88 -27.98 1 1 1 14 160.24 1

Activity (Go SEA)

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