UCSF

ZINC09360884

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 28 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) 3.97 9.34 -36.78 0 5 -1 70 419.284 7
Mid Mid (pH 6-8) 3.38 8.87 -25.44 0 5 0 64 420.292 7
Mid Mid (pH 6-8) 4.41 7.88 -30.79 1 5 0 67 420.292 6

Activity (Go SEA)

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