UCSF

ZINC40076473

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 26 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 3.03 8.37 -62.88 0 5 -1 73 349.41 6
Lo Low (pH 4.5-6) 3.03 7.6 -15.6 1 5 0 71 350.418 6

Activity (Go SEA)

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