UCSF

ZINC13684851

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 24 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) 2.80 5.41 -12.94 2 5 0 75 324.38 1
Hi High (pH 8-9.5) 3.34 3.62 -37.99 1 5 -1 82 323.372 1

Activity (Go SEA)

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