UCSF

ZINC35252569

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 20 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) 1.93 6.9 -7.83 0 4 0 34 278.396 5
Lo Low (pH 4.5-6) 1.93 9.11 -35.46 1 4 1 36 279.404 5

Activity (Go SEA)

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