UCSF

ZINC20553902

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) 4.17 12.15 -109.88 3 2 2 21 290.495 7
Hi High (pH 8-9.5) 4.17 11.36 -32.09 2 2 1 20 289.487 7

Activity (Go SEA)

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