UCSF

ZINC44659283

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 16 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) 2.03 5.83 -6.07 1 4 0 47 223.32 8
Mid Mid (pH 6-8) 2.03 6.21 -30.58 2 4 1 48 224.328 8

Activity (Go SEA)

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