UCSF

ZINC09272181

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 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) 5.16 12.11 -56.87 0 5 -1 70 432.883 6
Mid Mid (pH 6-8) 5.61 10.28 -24.47 1 5 0 67 433.891 5

Activity (Go SEA)

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