UCSF

ZINC45650613

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 3.33 5.46 -35.78 2 2 1 20 225.4 3
Lo Low (pH 4.5-6) 3.33 7.88 -108.69 3 2 2 21 226.408 3

Activity (Go SEA)

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