UCSF

ZINC37824496

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -1.74 -0.66 -49.33 3 7 1 93 297.379 6
Mid Mid (pH 6-8) -1.74 1.61 -105.45 4 7 2 95 298.387 6

Activity (Go SEA)

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