UCSF

ZINC37032873

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) -0.51 2.68 -52.58 4 5 1 91 305.379 4
Mid Mid (pH 6-8) -0.51 2.36 -11.82 3 5 0 89 304.371 4

Activity (Go SEA)

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