UCSF

ZINC43393769

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 1.96 6.88 -115.89 4 2 2 32 220.36 3
Hi High (pH 8-9.5) 1.96 4.75 -43.62 3 2 1 31 219.352 3
Mid Mid (pH 6-8) 1.96 6.52 -31.68 3 2 1 30 219.352 3

Activity (Go SEA)

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