UCSF

ZINC13424016

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 23 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) 2.89 5.93 -14.34 0 5 0 52 332.425 3
Lo Low (pH 4.5-6) 2.89 6.86 -29.9 1 5 1 53 333.433 3

Activity (Go SEA)

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