UCSF

ZINC34988631

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 2.19 6.88 -36.78 1 4 1 34 277.388 6
Mid Mid (pH 6-8) 2.19 4.59 -7.4 0 4 0 33 276.38 6
Mid Mid (pH 6-8) 2.19 6.79 -40.04 1 4 1 34 277.388 6

Activity (Go SEA)

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