UCSF

ZINC37023088

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 0.40 2.45 -51.09 4 6 1 84 296.372 5
Mid Mid (pH 6-8) 0.40 1.26 -18.79 3 6 0 79 295.364 5

Activity (Go SEA)

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