UCSF

ZINC42781643

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 19 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) 2.98 4.28 -7.79 1 3 0 24 274.286 5
Lo Low (pH 4.5-6) 2.98 6.36 -40.93 2 3 1 26 275.294 5

Activity (Go SEA)

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