UCSF

ZINC13783838

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 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) 1.75 5.34 -42.22 3 3 1 40 255.341 1
Hi High (pH 8-9.5) 1.75 3.05 -8.24 2 3 0 39 254.333 1

Activity (Go SEA)

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