UCSF

ZINC20125908

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 12 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) 2.02 4.4 -33.67 2 2 1 20 173.324 6
Hi High (pH 8-9.5) 2.02 4.85 -27.61 2 2 1 16 173.324 6
Mid Mid (pH 6-8) 2.02 6.37 -109.46 3 2 2 21 174.332 6

Activity (Go SEA)

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