UCSF

ZINC09045415

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 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) 1.82 5.13 -60.53 1 10 -1 124 496.54 9
Mid Mid (pH 6-8) 1.24 8.05 -54.5 2 10 1 119 498.556 9
Mid Mid (pH 6-8) 2.27 8.02 -51.98 3 10 1 123 498.556 8
Mid Mid (pH 6-8) 1.82 7.41 -70.32 2 10 0 125 497.548 9
Lo Low (pH 4.5-6) 1.82 4.37 -20.69 2 10 0 121 497.548 9

Activity (Go SEA)

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