UCSF

ZINC13990450

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 27 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) 2.76 6.08 -11 1 5 0 55 364.445 8
Lo Low (pH 4.5-6) 2.76 8.88 -119.05 3 5 2 57 366.461 8

Activity (Go SEA)

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