UCSF

ZINC38000697

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 17 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) 1.48 2.47 -35.66 4 4 1 60 240.371 3
Lo Low (pH 4.5-6) 1.48 3.72 -112.81 5 4 2 64 241.379 3
Lo Low (pH 4.5-6) 1.48 2.28 -41.17 4 4 1 63 240.371 3

Activity (Go SEA)

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