UCSF

ZINC09076513

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 32 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) 2.55 5.34 -50.89 0 11 -1 143 439.404 6
Lo Low (pH 4.5-6) 2.09 7.93 -15.91 1 11 0 139 440.412 6

Activity (Go SEA)

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