UCSF

ZINC38205612

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2010 26 No

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) 6.19 11.86 -5.66 0 2 0 20 386.322 4
Lo Low (pH 4.5-6) 6.19 14.08 -43.9 1 2 1 22 387.33 4

Activity (Go SEA)

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