UCSF

ZINC36475207

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 14 No

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) 2.56 6.04 -12.4 0 4 0 51 208.242 2
Hi High (pH 8-9.5) 2.56 6.57 -46.4 0 4 -1 51 207.234 2

Activity (Go SEA)

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