UCSF

ZINC13496647

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 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) 3.90 8.48 -18.4 2 6 0 83 404.495 6
Hi High (pH 8-9.5) 3.90 8.53 -41.83 1 6 -1 81 403.487 6

Activity (Go SEA)

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