UCSF

ZINC19939708

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 26 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) 2.02 7.34 -15.96 0 6 0 51 356.47 4
Mid Mid (pH 6-8) 2.02 7.73 -32.37 1 6 1 52 357.478 4

Activity (Go SEA)

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