UCSF

ZINC44624146

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 3.22 7.33 -38.66 2 3 1 34 264.78 4
Hi High (pH 8-9.5) 3.22 5.91 -6.89 1 3 0 30 263.772 4
Lo Low (pH 4.5-6) 3.22 8.08 -100.82 3 3 2 36 265.788 4

Activity (Go SEA)

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