UCSF

ZINC51957372

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2010 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) 2.53 7.68 -41.54 1 3 1 17 293.406 4
Mid Mid (pH 6-8) 2.53 7.51 -38.26 1 3 1 17 293.406 4
Mid Mid (pH 6-8) 2.53 5.47 -3.92 0 3 0 16 292.398 4
Mid Mid (pH 6-8) 2.53 9.75 -104.2 2 3 2 18 294.414 4

Activity (Go SEA)

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