UCSF

ZINC20551845

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 2.81 7.76 -54.8 2 3 1 37 302.225 5
Hi High (pH 8-9.5) 2.81 6.33 -8.66 1 3 0 32 301.217 5

Activity (Go SEA)

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