UCSF

ZINC43968752

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 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) 3.26 5.67 -28.7 2 3 1 29 257.442 8
Hi High (pH 8-9.5) 3.26 5.26 -1.93 1 3 0 24 256.434 8
Hi High (pH 8-9.5) 3.26 6.67 -26.92 2 3 1 26 257.442 8

Activity (Go SEA)

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