UCSF

ZINC09110450

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 23 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) 3.03 6.36 -57.63 1 4 -1 69 306.341 3
Mid Mid (pH 6-8) 3.21 2.97 -54.15 1 4 -1 73 306.341 3
Mid Mid (pH 6-8) 3.48 6.42 -16.96 2 4 0 66 307.349 2
Lo Low (pH 4.5-6) 3.03 5.59 -12.32 2 4 0 66 307.349 3

Activity (Go SEA)

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