UCSF

ZINC21640331

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 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) 4.70 10.44 -8.5 0 5 0 35 419.96 4
Lo Low (pH 4.5-6) 4.70 10.74 -37.55 1 5 1 37 420.968 4

Activity (Go SEA)

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