UCSF

ZINC21811847

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 32 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) 3.28 10.69 -13.35 1 7 0 80 434.54 4
Lo Low (pH 4.5-6) 3.28 11.1 -36.74 2 7 1 82 435.548 4

Activity (Go SEA)

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