UCSF

ZINC19812605

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 17 No

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) 0.25 6.04 -13.05 0 4 0 57 251.717 5
Lo Low (pH 4.5-6) 0.25 6.48 -41.35 1 4 1 58 252.725 5

Activity (Go SEA)

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