UCSF

ZINC21847669

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 28 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) 2.98 7.48 -44.8 2 6 1 55 382.484 6
Hi High (pH 8-9.5) 2.98 5.2 -12.04 1 6 0 54 381.476 6

Activity (Go SEA)

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