UCSF

ZINC20129780

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 19 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) 4.66 10.46 -40.18 2 1 1 17 317.25 3
Hi High (pH 8-9.5) 4.66 9.43 -4.73 1 1 0 12 316.242 3

Activity (Go SEA)

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