UCSF

ZINC20125934

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 13 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) 2.71 5.03 -31.03 2 2 1 20 187.351 6
Hi High (pH 8-9.5) 2.70 5.58 -27.79 2 2 1 16 187.351 6
Mid Mid (pH 6-8) 2.71 7.01 -106.85 3 2 2 21 188.359 6

Activity (Go SEA)

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