UCSF

ZINC36871975

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 17 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) 0.39 4.99 -43.77 3 5 1 60 236.343 4
Mid Mid (pH 6-8) 0.39 6.74 -125.2 4 5 2 61 237.351 4
Mid Mid (pH 6-8) 0.39 6.43 -37.94 3 5 1 59 236.343 4

Activity (Go SEA)

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