UCSF

ZINC59810445

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 36 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) 1.65 8.38 -37.89 4 14 1 177 498.524 9
Hi High (pH 8-9.5) 1.65 6.11 -14.41 3 14 0 176 497.516 9

Activity (Go SEA)

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