UCSF

ZINC26159770

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 24 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) 3.76 7.65 -14.79 5 7 0 119 360.468 5
Hi High (pH 8-9.5) 2.96 6.63 -63.05 4 7 -1 123 359.46 6
Mid Mid (pH 6-8) 3.82 6.46 -39.51 6 7 1 122 361.476 5

Activity (Go SEA)

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