UCSF

ZINC39381912

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 15 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) -0.98 2.33 -41.96 4 4 0 88 207.229 4
Hi High (pH 8-9.5) -0.98 2.12 -46.81 3 4 -1 86 206.221 4

Activity (Go SEA)

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