UCSF

ZINC21687087

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 19 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) 1.78 5.35 -8.89 0 4 0 36 281.425 5
Lo Low (pH 4.5-6) 1.78 7.62 -44.74 1 4 1 38 282.433 5

Activity (Go SEA)

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