UCSF

ZINC40068026

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 35 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) 2.86 7.26 -70.21 1 9 -1 122 486.541 15
Lo Low (pH 4.5-6) 2.86 6.37 -21.43 2 9 0 119 487.549 15

Activity (Go SEA)

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