UCSF

ZINC26510288

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 18 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) 1.99 8.36 -30.89 3 2 1 30 249.422 7
Lo Low (pH 4.5-6) 1.99 8.66 -114.17 4 2 2 32 250.43 7

Activity (Go SEA)

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