UCSF

ZINC20052174

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 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) 2.13 5.65 -41.57 3 4 1 46 282.383 9
Mid Mid (pH 6-8) 2.13 7.04 -114.87 4 4 2 50 283.391 9
Mid Mid (pH 6-8) 2.13 4.71 -51.28 3 4 1 49 282.383 9

Activity (Go SEA)

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