UCSF

ZINC38539814

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 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) 1.55 5.88 -37.81 3 2 1 30 223.315 2
Hi High (pH 8-9.5) 1.55 4.04 -47.09 3 2 1 31 223.315 2
Mid Mid (pH 6-8) 1.55 6.2 -122.98 4 2 2 32 224.323 2

Activity (Go SEA)

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