UCSF

ZINC36877572

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 4.26 12.5 -47.95 2 7 1 72 480.658 4
Mid Mid (pH 6-8) 4.26 10.28 -15.62 1 7 0 70 479.65 4

Activity (Go SEA)

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