UCSF

ZINC28242591

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 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) 5.33 6.69 -22.11 4 6 0 99 384.476 9
Hi High (pH 8-9.5) 5.33 7.71 -64.7 3 6 -1 101 383.468 9

Activity (Go SEA)

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