UCSF

ZINC46437813

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2010 20 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) 2.84 9.74 -47.51 1 3 1 31 290.305 8
Hi High (pH 8-9.5) 2.84 7.4 -5.73 0 3 0 30 289.297 8

Activity (Go SEA)

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