UCSF

ZINC39971525

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 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) 4.04 8.91 -36.83 1 2 1 8 302.269 4
Mid Mid (pH 6-8) 4.04 9.18 -41.76 1 2 1 8 302.269 4
Mid Mid (pH 6-8) 4.04 6.92 -2.64 0 2 0 6 301.261 4

Activity (Go SEA)

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