UCSF

ZINC20142666

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 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) 1.30 1.18 -45.57 3 4 1 55 224.28 5
Hi High (pH 8-9.5) 1.30 1.97 -67.75 2 4 0 58 223.272 5

Activity (Go SEA)

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