UCSF

ZINC64888190

Substance Information

In ZINC since Heavy atoms Benign functionality
June 28th, 2011 30 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) 5.51 10.68 -14.6 1 5 0 64 419.55 6
Lo Low (pH 4.5-6) 5.51 11.2 -32.65 2 5 1 65 420.558 6

Activity (Go SEA)

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