UCSF

ZINC19474483

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 16 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) 2.14 3.8 -46.63 3 3 1 46 233.213 4
Hi High (pH 8-9.5) 2.14 2.34 -8.8 2 3 0 41 232.205 4

Activity (Go SEA)

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