UCSF

ZINC17001895

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 14 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) 0.53 3.19 -16.56 1 6 0 75 191.194 1
Hi High (pH 8-9.5) 0.99 2.48 -45.96 0 6 -1 78 190.186 1

Activity (Go SEA)

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