UCSF

ZINC33831212

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 31 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) -0.57 -8.36 -17.48 7 11 0 186 436.369 3
Hi High (pH 8-9.5) -0.57 -7.37 -58.53 6 11 -1 189 435.361 3

Activity (Go SEA)

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