UCSF

ZINC00098110

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 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) 3.63 11.1 -11.62 0 4 0 43 314.801 2
Mid Mid (pH 6-8) 3.63 12.66 -47.78 2 4 1 47 315.809 2

Activity (Go SEA)

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