UCSF

ZINC37985099

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 18 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) 4.52 8.08 -43.76 2 2 1 26 392.136 5
Hi High (pH 8-9.5) 4.52 6.7 -3.69 1 2 0 21 391.128 5

Activity (Go SEA)

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