UCSF

ZINC19983682

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.61 3.28 -49 1 5 -1 86 256.303 5
Hi High (pH 8-9.5) 1.61 3.35 -101.75 0 5 -2 88 255.295 5

Activity (Go SEA)

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