UCSF

ZINC37814181

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) -0.87 1.68 -54.53 4 6 1 86 272.369 5
Hi High (pH 8-9.5) -0.87 1.31 -15.38 3 6 0 85 271.361 5

Activity (Go SEA)

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