UCSF

ZINC35020973

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 18 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) 1.28 3.81 -37.89 2 4 1 45 249.334 4
Hi High (pH 8-9.5) 1.28 2.29 -42.67 0 4 -1 47 247.318 4
Mid Mid (pH 6-8) 1.28 1.52 -8.36 1 4 0 44 248.326 4

Activity (Go SEA)

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