UCSF

ZINC19428123

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 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) 0.06 3.31 -93.19 5 4 2 61 227.352 3
Hi High (pH 8-9.5) 0.06 2.98 -41.48 4 4 1 60 226.344 3

Activity (Go SEA)

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