UCSF

ZINC09012884

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 28 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) 4.97 11.59 -62.47 0 4 -1 60 380.439 8
Mid Mid (pH 6-8) 4.38 1.53 -10.36 0 4 0 54 381.447 8
Lo Low (pH 4.5-6) 4.97 10.76 -15.85 1 4 0 58 381.447 8

Activity (Go SEA)

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