UCSF

ZINC13676752

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 37 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) 2.40 4.29 -22.78 4 10 0 165 504.543 12
Hi High (pH 8-9.5) 2.40 5.19 -66.23 3 10 -1 168 503.535 12

Activity (Go SEA)

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