UCSF

ZINC33494410

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2009 15 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) 2.34 4.46 -12.27 1 4 0 50 207.229 2
Mid Mid (pH 6-8) 2.34 5.47 -59.01 0 4 -1 53 206.221 2

Activity (Go SEA)

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