UCSF

ZINC37003801

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) -1.03 3.42 -8.35 3 5 0 75 277.368 6
Mid Mid (pH 6-8) -1.03 3.74 -44.81 4 5 1 77 278.376 6

Activity (Go SEA)

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