UCSF

ZINC55471250

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2010 24 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) 1.30 7.21 -51.68 1 6 -1 90 327.36 4
Lo Low (pH 4.5-6) 1.30 5.26 -19.38 2 6 0 87 328.368 4

Activity (Go SEA)

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