UCSF

ZINC36855009

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 17 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) -0.96 4.62 -69.08 2 6 0 94 240.259 6
Hi High (pH 8-9.5) -0.96 3.35 -50.47 1 6 -1 90 239.251 6

Activity (Go SEA)

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