UCSF

ZINC19364795

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 9 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) -1.42 -0.43 -88.48 5 3 2 44 133.239 5
Hi High (pH 8-9.5) -1.42 -2.91 -41.11 4 3 1 43 132.231 5

Activity (Go SEA)

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