UCSF

ZINC37099746

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 5.45 9.71 -28.82 2 1 1 17 327.197 4
Hi High (pH 8-9.5) 5.45 8.86 -2.95 1 1 0 12 326.189 4

Activity (Go SEA)

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