UCSF

ZINC13215004

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 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) 4.73 9.79 -13.86 0 5 0 50 377.44 6
Lo Low (pH 4.5-6) 4.73 10.02 -39.23 1 5 1 51 378.448 6

Activity (Go SEA)

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