UCSF

ZINC13307413

Substance Information

In ZINC since Heavy atoms Benign functionality
June 16th, 2008 12 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) -3.34 -2.13 -61.66 3 6 -1 112 193.566 2
Hi High (pH 8-9.5) -3.34 -2.72 -102.67 2 6 -2 111 192.558 2
Hi High (pH 8-9.5) -3.34 -2.39 -103.29 2 6 -2 111 192.558 2

Activity (Go SEA)

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