UCSF

ZINC20556820

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 21 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) 3.10 1.94 -14.58 4 5 0 92 306.387 3
Hi High (pH 8-9.5) 3.10 2.39 -44.7 3 5 -1 95 305.379 3

Activity (Go SEA)

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