UCSF

ZINC43412107

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 No

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) 1.77 5.01 -43.92 4 5 1 68 282.437 5
Hi High (pH 8-9.5) 1.77 2.66 -11.34 3 5 0 67 281.429 5
Lo Low (pH 4.5-6) 1.77 5.15 -89.83 5 5 2 70 283.445 5

Activity (Go SEA)

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