UCSF

ZINC19499929

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 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) 2.88 6.28 -31.98 1 4 1 26 293.431 6
Mid Mid (pH 6-8) 2.88 6.74 -31.37 1 4 1 26 293.431 6
Mid Mid (pH 6-8) 2.88 4.32 -4.33 0 4 0 25 292.423 6

Activity (Go SEA)

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