UCSF

ZINC21813219

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 4.54 11.15 -43.7 2 1 1 17 339.311 3
Hi High (pH 8-9.5) 4.54 9.97 -4.02 1 1 0 12 338.303 3

Activity (Go SEA)

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