UCSF

ZINC25069129

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 36 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) 4.50 14.09 -45.29 1 6 1 52 487.62 7
Hi High (pH 8-9.5) 4.50 12.19 -14.64 0 6 0 51 486.612 7

Activity (Go SEA)

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