UCSF

ZINC09271102

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 38 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) 1.41 5.04 -60.22 1 11 -1 133 526.566 10
Mid Mid (pH 6-8) 1.86 8.22 -61.09 3 11 1 132 528.582 9
Mid Mid (pH 6-8) 1.41 7.32 -72 2 11 0 135 527.574 10
Lo Low (pH 4.5-6) 1.41 4.29 -22.37 2 11 0 131 527.574 10

Activity (Go SEA)

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