UCSF

ZINC37988977

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 18 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) -0.14 4.48 -58.49 3 6 1 77 249.294 5
Hi High (pH 8-9.5) -0.14 3.12 -16.97 2 6 0 72 248.286 5

Activity (Go SEA)

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