UCSF

ZINC60250211

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 36 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) 3.45 10.6 -50.6 2 10 1 114 519.692 13
Hi High (pH 8-9.5) 3.90 6.7 -59.3 0 10 -1 116 517.676 13
Mid Mid (pH 6-8) 3.90 8.82 -59.49 1 10 0 117 518.684 13

Activity (Go SEA)

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