UCSF

ZINC09338802

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2007 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) 1.49 -1.94 -14.5 2 5 0 71 269.304 5
Lo Low (pH 4.5-6) 1.49 -2.29 -35.82 3 5 1 72 270.312 5

Activity (Go SEA)

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