UCSF

ZINC09436568

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 36 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) 3.50 10.65 -59.29 0 9 -1 122 506.56 10
Mid Mid (pH 6-8) 3.94 10.42 -18.71 1 9 0 119 507.568 9
Mid Mid (pH 6-8) 2.91 10.98 -16.4 0 9 0 116 507.568 10
Lo Low (pH 4.5-6) 3.94 10.71 -57.09 2 9 1 120 508.576 9
Lo Low (pH 4.5-6) 2.91 11.27 -49.75 1 9 1 117 508.576 10

Activity (Go SEA)

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