UCSF

ZINC00898076

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 31 No

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) 5.45 12.36 -15.79 1 7 0 101 426.457 4
Mid Mid (pH 6-8) 5.51 11.51 -40.78 0 7 -1 107 425.449 4

Activity (Go SEA)

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