UCSF

ZINC37871179

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 15 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) 1.34 5.54 -49.11 2 3 1 50 205.281 5
Mid Mid (pH 6-8) 1.34 4.31 -8.36 1 3 0 45 204.273 5

Activity (Go SEA)

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