UCSF

ZINC40076121

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 32 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 5.55 12.44 -60.87 0 5 -1 70 426.492 8
Lo Low (pH 4.5-6) 5.55 11.68 -13.59 1 5 0 67 427.5 8

Activity (Go SEA)

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