UCSF

ZINC36667889

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 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) 1.00 7.35 -106.29 3 4 2 47 232.368 11
Mid Mid (pH 6-8) 1.00 6.01 -35.33 2 4 1 43 231.36 11
Mid Mid (pH 6-8) 1.00 5.24 -44.15 2 4 1 46 231.36 11

Activity (Go SEA)

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