UCSF

ZINC33287014

Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2009 25 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) 1.47 5.41 -16.67 1 7 0 90 375.431 5
Hi High (pH 8-9.5) 1.65 4.34 -47.01 0 7 -1 97 374.423 5

Activity (Go SEA)

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