UCSF

ZINC20880434

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 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) 3.49 6.86 -57.03 1 4 -1 61 270.308 5
Lo Low (pH 4.5-6) 3.49 5.75 -10.28 2 4 0 59 271.316 5

Activity (Go SEA)

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