UCSF

ZINC09271105

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 5.5 -55.38 1 11 -1 133 526.566 10
Mid Mid (pH 6-8) 1.86 7.99 -49.53 3 11 1 132 528.582 9
Mid Mid (pH 6-8) 0.83 -0.17 -58.96 2 11 1 128 528.582 10
Mid Mid (pH 6-8) 1.41 7.77 -72.23 2 11 0 135 527.574 10
Lo Low (pH 4.5-6) 1.41 4.73 -20.5 2 11 0 131 527.574 10

Activity (Go SEA)

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