UCSF

ZINC58369383

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 23 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) 2.87 5.44 -110.33 0 6 -2 101 326.333 4
Mid Mid (pH 6-8) 2.87 5.4 -53.63 1 6 -1 99 327.341 4

Activity (Go SEA)

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