UCSF

ZINC36996460

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 2.57 6.77 -33.43 2 3 1 26 261.389 4
Hi High (pH 8-9.5) 2.57 4.51 -3.68 1 3 0 24 260.381 4
Lo Low (pH 4.5-6) 2.57 7.92 -111.67 3 3 2 30 262.397 4

Activity (Go SEA)

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