UCSF

ZINC40090075

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 29 Yes

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) 1.72 2.58 -50.39 1 8 -1 107 404.328 3
Lo Low (pH 4.5-6) 1.26 4.42 -17.48 2 8 0 104 405.336 3

Activity (Go SEA)

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