UCSF

ZINC43967289

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 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) 2.36 7.66 -38.37 2 4 1 38 287.431 8
Mid Mid (pH 6-8) 2.36 8.13 -40.95 2 4 1 34 287.431 8
Lo Low (pH 4.5-6) 2.36 9.51 -126.96 3 4 2 39 288.439 8

Activity (Go SEA)

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