UCSF

ZINC22908577

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 29 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) 2.63 8.37 -55.47 2 8 1 92 399.471 7
Mid Mid (pH 6-8) 2.63 5.9 -18.76 1 8 0 91 398.463 7

Activity (Go SEA)

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