UCSF

ZINC57530531

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2011 28 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) 2.66 5.94 -12.93 1 6 0 60 384.476 7
Lo Low (pH 4.5-6) 2.66 7.82 -48.19 2 6 1 61 385.484 7

Activity (Go SEA)

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