UCSF

ZINC32072949

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 19 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) 2.77 5.52 -43.39 2 4 1 51 305.851 7
Hi High (pH 8-9.5) 2.77 3.6 -7.99 1 4 0 49 304.843 7

Activity (Go SEA)

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