UCSF

ZINC37803936

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 1.48 5.05 -49.22 4 4 1 64 272.372 2
Hi High (pH 8-9.5) 1.48 4.79 -12.43 3 4 0 62 271.364 2

Activity (Go SEA)

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