UCSF

ZINC08746860

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 21 Yes

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) 1.60 -3.91 -15.13 1 5 0 76 304.371 5
Lo Low (pH 4.5-6) 1.60 -3.79 -46.26 2 5 1 77 305.379 5

Activity (Go SEA)

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