UCSF

ZINC36950751

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 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) 0.82 2.02 -40.54 4 6 1 86 284.38 6
Hi High (pH 8-9.5) 0.82 0.59 -6.89 3 6 0 82 283.372 6

Activity (Go SEA)

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