UCSF

ZINC09458068

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 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) 1.64 4.19 -61.31 1 8 -1 108 424.429 7
Mid Mid (pH 6-8) 2.08 3.12 -29.87 2 8 0 106 425.437 6

Activity (Go SEA)

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