UCSF

ZINC42778027

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 21 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) 2.80 7.77 -44.67 2 4 1 38 307.384 8
Hi High (pH 8-9.5) 2.80 6.38 -4.79 1 4 0 33 306.376 8

Activity (Go SEA)

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