UCSF

ZINC04273212

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 29 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) 4.15 11.52 -18.33 0 7 0 92 404.451 5
Lo Low (pH 4.5-6) 4.15 11.82 -56.45 1 7 1 93 405.459 5

Activity (Go SEA)

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