UCSF

ZINC13687540

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 32 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) 3.12 6.46 -13.89 0 7 0 74 430.46 5
Lo Low (pH 4.5-6) 3.12 9.56 -122.28 2 7 2 76 432.476 5

Activity (Go SEA)

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