UCSF

ZINC35817070

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 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) 3.92 7.62 -18.36 2 7 0 78 484.959 8
Mid Mid (pH 6-8) 3.92 9.88 -56.73 3 7 1 79 485.967 8
Lo Low (pH 4.5-6) 3.92 10.19 -114.16 4 7 2 80 486.975 8

Activity (Go SEA)

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