UCSF

ZINC24750366

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2009 34 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) 3.13 11.05 -52.55 2 8 1 73 460.558 7
Hi High (pH 8-9.5) 3.13 8.74 -17.63 1 8 0 72 459.55 7

Activity (Go SEA)

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