UCSF

ZINC36883447

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 2.24 6.04 -101.96 4 2 2 32 188.359 9
Hi High (pH 8-9.5) 2.24 5.66 -31.65 3 2 1 30 187.351 9
Mid Mid (pH 6-8) 2.24 3.92 -40.85 3 2 1 31 187.351 9

Activity (Go SEA)

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