UCSF

ZINC20615384

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 21 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) 7.91 9.97 -12.61 2 3 0 49 473.379 3
Mid Mid (pH 6-8) 7.91 8.37 -4.77 2 3 0 45 473.379 3
Mid Mid (pH 6-8) 7.91 9.23 -29.82 1 3 -1 47 472.371 3

Activity (Go SEA)

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