UCSF

ZINC34990019

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) 2.29 6.68 -39.36 1 4 1 34 277.388 6
Mid Mid (pH 6-8) 2.29 4.4 -9.73 0 4 0 33 276.38 6
Mid Mid (pH 6-8) 2.29 6.6 -42.41 1 4 1 34 277.388 6

Activity (Go SEA)

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