UCSF

ZINC13281547

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 25 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) 4.22 7.37 -12.3 0 5 0 50 333.343 2
Lo Low (pH 4.5-6) 4.22 7.6 -39.34 1 5 1 51 334.351 2

Activity (Go SEA)

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