UCSF

ZINC37822814

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 15 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) 0.41 1.45 -40.61 3 4 1 51 210.301 3
Lo Low (pH 4.5-6) 0.41 3.71 -94.91 4 4 2 52 211.309 3

Activity (Go SEA)

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