UCSF

ZINC19484104

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 21 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) 3.19 7.46 -59.66 3 3 1 48 281.379 2
Hi High (pH 8-9.5) 3.19 7.07 -10.78 2 3 0 46 280.371 2

Activity (Go SEA)

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