UCSF

ZINC42901101

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) 2.38 6.45 -106.9 4 2 2 32 222.376 6
Mid Mid (pH 6-8) 2.38 6.14 -28.81 3 2 1 30 221.368 6
Mid Mid (pH 6-8) 2.38 4.36 -39.72 3 2 1 31 221.368 6

Activity (Go SEA)

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