UCSF

ZINC37154141

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 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) 3.76 7.54 -119.06 4 3 2 41 319.276 5
Mid Mid (pH 6-8) 3.76 5.68 -39.27 3 3 1 40 318.268 5
Mid Mid (pH 6-8) 3.76 6.43 -32.74 3 3 1 37 318.268 5
Mid Mid (pH 6-8) 3.76 7.18 -33.68 2 3 0 40 317.26 5

Activity (Go SEA)

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