UCSF

ZINC20039779

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 13 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) 4.14 7.3 -43.07 2 1 1 17 218.773 6
Hi High (pH 8-9.5) 4.14 5.88 -1.43 1 1 0 12 217.765 6

Activity (Go SEA)

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