UCSF

ZINC32113069

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 18 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) 2.71 5.36 -47.21 3 3 1 46 264.37 6
Hi High (pH 8-9.5) 2.71 5.01 -6.71 2 3 0 44 263.362 6

Activity (Go SEA)

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