UCSF

ZINC42901062

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) 1.87 6.46 -106.42 4 2 2 32 220.36 5
Hi High (pH 8-9.5) 1.87 4.14 -40.79 3 2 1 31 219.352 5
Mid Mid (pH 6-8) 1.87 6.14 -28.3 3 2 1 30 219.352 5

Activity (Go SEA)

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