UCSF

ZINC01409202

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 18 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) -1.02 -2.41 -15.62 4 9 0 138 250.218 4
Mid Mid (pH 6-8) -3.43 -2.21 -47.05 5 9 1 141 251.226 4

Activity (Go SEA)

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