UCSF

ZINC39716996

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 34 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) 6.64 9.73 -16.32 1 7 0 90 516.044 7
Mid Mid (pH 6-8) 6.64 9.74 -59.11 0 7 -1 92 515.036 7

Activity (Go SEA)

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