UCSF

ZINC53201337

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 2.03 6 -32.5 2 2 1 16 223.315 3
Lo Low (pH 4.5-6) 2.03 7.28 -105.7 3 2 2 21 224.323 3
Lo Low (pH 4.5-6) 2.03 5.01 -37.7 2 2 1 20 223.315 3

Activity (Go SEA)

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