UCSF

ZINC44811981

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 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) 1.47 4.11 -7.07 0 4 0 47 223.32 4
Mid Mid (pH 6-8) 1.47 6.32 -44.31 1 4 1 49 224.328 4

Activity (Go SEA)

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