UCSF

ZINC37051532

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 2.92 6.43 -10.04 1 3 0 30 281.281 2
Lo Low (pH 4.5-6) 2.92 6.86 -37.99 2 3 1 31 282.289 2

Activity (Go SEA)

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