UCSF

ZINC31901228

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 22 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) -1.97 1.37 -223.14 1 9 -3 162 327.294 7
Lo Low (pH 4.5-6) -1.60 0.48 -65.16 3 9 -1 153 329.31 6
Lo Low (pH 4.5-6) -1.97 -0.19 -126.98 2 9 -2 159 328.302 7

Activity (Go SEA)

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