UCSF

ZINC37799308

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 16 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) 0.30 2.09 -41.59 3 5 1 66 246.356 5
Mid Mid (pH 6-8) 0.30 0.85 -13.33 2 5 0 61 245.348 5

Activity (Go SEA)

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