UCSF

ZINC22918703

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 33 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) 5.44 10.74 -12.7 0 5 0 41 438.575 5
Mid Mid (pH 6-8) 5.44 11.24 -10.87 0 5 0 41 438.575 5
Mid Mid (pH 6-8) 5.44 12.99 -47.8 1 5 1 42 439.583 5
Mid Mid (pH 6-8) 5.44 13.5 -43.27 1 5 1 42 439.583 5

Activity (Go SEA)

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