UCSF

ZINC60313749

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2011 19 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) 1.22 5.64 -47.32 3 5 1 62 259.333 2
Lo Low (pH 4.5-6) 1.22 6.13 -84.88 4 5 2 63 260.341 2

Activity (Go SEA)

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