UCSF

ZINC21504618

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 20 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) 5.82 10.02 -4.4 1 1 0 12 328.67 5
Lo Low (pH 4.5-6) 5.82 11.28 -53.43 2 1 1 17 329.678 5

Activity (Go SEA)

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