UCSF

ZINC43894200

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 20 Yes

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) 3.41 8.72 -42.49 2 3 1 33 278.464 10
Mid Mid (pH 6-8) 3.41 9.07 -39.59 2 3 1 29 278.464 10

Activity (Go SEA)

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