UCSF

ZINC37981604

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) -1.18 0.08 -42.86 6 7 1 116 278.336 5
Lo Low (pH 4.5-6) -1.18 0.45 -98.11 7 7 2 117 279.344 5

Activity (Go SEA)

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