UCSF

ZINC37299974

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 19 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) 2.66 7.28 -62.8 3 5 1 83 259.285 5
Hi High (pH 8-9.5) 2.66 6.87 -10.79 2 5 0 81 258.277 5

Activity (Go SEA)

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