UCSF

ZINC36886126

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 0.59 9.55 -41.84 1 5 0 65 276.336 7
Hi High (pH 8-9.5) 0.59 7.69 -60.2 0 5 -1 64 275.328 7

Activity (Go SEA)

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