UCSF

ZINC08743930

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 31 No

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) 2.67 6.46 -54.09 1 8 -1 116 440.432 6
Mid Mid (pH 6-8) 3.12 5.19 -19.92 2 8 0 113 441.44 5

Activity (Go SEA)

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