UCSF

ZINC36643532

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 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) 2.55 7.8 -15.96 1 6 0 79 403.548 6
Lo Low (pH 4.5-6) 2.55 8.26 -61.43 2 6 1 81 404.556 6

Activity (Go SEA)

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