UCSF

ZINC69658527

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 22 Yes

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) 1.68 4.45 -36.21 3 6 1 66 315.482 10
Hi High (pH 8-9.5) 1.68 2.41 -14.73 2 6 0 65 314.474 10

Activity (Go SEA)

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