UCSF

ZINC09380293

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 18 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) 3.75 7.14 -9.33 1 3 0 46 256.692 1
Hi High (pH 8-9.5) 4.21 6.27 -42.74 0 3 -1 49 255.684 1

Activity (Go SEA)

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