UCSF

ZINC40861241

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 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) 3.66 8.63 -35.35 1 4 1 26 333.496 7
Lo Low (pH 4.5-6) 3.66 10.87 -106.55 2 4 2 27 334.504 7
Lo Low (pH 4.5-6) 3.66 8.48 -41.92 1 4 1 26 333.496 7

Activity (Go SEA)

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