UCSF

ZINC42901131

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 2.34 5.64 -106.76 4 2 2 32 222.376 5
Mid Mid (pH 6-8) 2.34 3.73 -38.87 3 2 1 31 221.368 5
Mid Mid (pH 6-8) 2.34 5.32 -28.73 3 2 1 30 221.368 5

Activity (Go SEA)

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