UCSF

ZINC37098797

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) -0.81 2.36 -54.79 2 5 1 57 214.289 3
Mid Mid (pH 6-8) -0.81 1.07 -9.94 1 5 0 53 213.281 3

Activity (Go SEA)

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