UCSF

ZINC19293775

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 25 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) 3.55 10.08 -43.92 1 4 1 33 339.438 3
Hi High (pH 8-9.5) 3.55 7.64 -6.17 0 4 0 32 338.43 3

Activity (Go SEA)

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