UCSF

ZINC51762227

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2010 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) 0.41 1.27 -17.62 2 7 0 93 279.325 5
Hi High (pH 8-9.5) 0.41 2.03 -44.36 1 7 -1 96 278.317 5

Activity (Go SEA)

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