UCSF

ZINC32256539

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2009 16 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.01 9.16 -40.43 1 2 1 28 235.738 2
Hi High (pH 8-9.5) 3.01 7.03 -4.69 0 2 0 27 234.73 2

Activity (Go SEA)

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