UCSF

ZINC20146345

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 18 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) 3.00 9.95 -110.74 3 2 2 21 252.446 6
Hi High (pH 8-9.5) 3.00 7.6 -42.79 2 2 1 20 251.438 6
Hi High (pH 8-9.5) 3.00 8.59 -33.62 2 2 1 16 251.438 6

Activity (Go SEA)

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