UCSF

ZINC19996497

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 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) 3.56 6.9 -36.65 4 4 1 60 319.256 7
Hi High (pH 8-9.5) 3.56 4.84 -9.8 3 4 0 58 318.248 7

Activity (Go SEA)

Rings

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