UCSF

ZINC37793265

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 1.38 6.5 -52.03 1 7 -1 105 292.267 7
Lo Low (pH 4.5-6) 1.38 4.51 -14.85 2 7 0 102 293.275 7

Activity (Go SEA)

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