UCSF

ZINC37996495

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) -0.89 -1.65 -45.58 5 6 1 100 242.299 2
Hi High (pH 8-9.5) -0.89 -2.8 -19.32 4 6 0 96 241.291 2

Activity (Go SEA)

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