UCSF

ZINC19634586

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 19 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) 2.66 7.71 -32.3 1 3 1 17 261.389 6
Mid Mid (pH 6-8) 2.66 7.71 -31.09 1 3 1 17 261.389 6
Mid Mid (pH 6-8) 2.66 5.4 -3.71 0 3 0 16 260.381 6

Activity (Go SEA)

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