UCSF

ZINC09065807

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 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) 1.80 5.59 -54.42 1 10 -1 124 496.54 9
Mid Mid (pH 6-8) 1.22 8.48 -54.76 2 10 1 119 498.556 9
Mid Mid (pH 6-8) 2.25 7.91 -47.7 3 10 1 123 498.556 8
Mid Mid (pH 6-8) 1.80 7.86 -69.07 2 10 0 125 497.548 9
Lo Low (pH 4.5-6) 1.80 4.82 -17.63 2 10 0 121 497.548 9

Activity (Go SEA)

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