UCSF

ZINC26781810

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 17 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) 2.33 4.87 -47.42 3 3 1 46 238.351 7
Hi High (pH 8-9.5) 2.33 3.61 -6.57 2 3 0 41 237.343 7

Activity (Go SEA)

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