UCSF

ZINC43423005

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 1.53 5.53 -78.81 5 4 2 59 256.438 9
Mid Mid (pH 6-8) 1.53 6.98 -183.18 6 4 3 60 257.446 9

Activity (Go SEA)

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