UCSF

ZINC13685654

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 24 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) 4.38 6.13 -10.34 2 5 0 75 340.404 3
Mid Mid (pH 6-8) 3.89 6.06 -44.87 1 5 -1 74 339.396 4

Activity (Go SEA)

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