UCSF

ZINC43460852

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 16 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) -0.12 3.26 -39.85 3 4 0 68 301.213 4
Mid Mid (pH 6-8) -0.12 3.99 -58.44 4 4 1 69 302.221 4

Activity (Go SEA)

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