UCSF

ZINC45319303

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 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) 2.97 7.42 -63.55 4 8 1 108 513.684 10
Hi High (pH 8-9.5) 2.97 6.01 -20.16 3 8 0 104 512.676 10

Activity (Go SEA)

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