UCSF

ZINC44686448

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 16 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) 2.48 6.38 -33.75 2 3 1 30 333.193 4
Lo Low (pH 4.5-6) 2.48 5.26 -41.99 2 3 1 33 333.193 4
Lo Low (pH 4.5-6) 2.48 7.56 -112.77 3 3 2 34 334.201 4

Activity (Go SEA)

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