UCSF

ZINC20148926

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 17 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) 1.61 5.49 -55.07 3 3 1 46 300.22 6
Hi High (pH 8-9.5) 1.61 4.26 -11.12 2 3 0 41 299.212 6

Activity (Go SEA)

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