UCSF

ZINC09763890

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2007 27 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) 3.11 0.37 -12.19 1 6 0 83 380.787 4
Mid Mid (pH 6-8) 2.53 0.21 -15.29 0 6 0 80 380.787 4
Lo Low (pH 4.5-6) 3.11 0.59 -41.65 2 6 1 84 381.795 4
Lo Low (pH 4.5-6) 2.53 0.43 -49.35 1 6 1 81 381.795 4

Activity (Go SEA)

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