UCSF

ZINC60001613

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 20 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) 2.18 4.99 -4.74 4 4 0 71 274.364 5
Lo Low (pH 4.5-6) 2.18 4.85 -44.24 5 4 1 72 275.372 5

Activity (Go SEA)

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