UCSF

ZINC31885255

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 3.09 7.13 -6.82 0 2 0 18 283.194 2
Hi High (pH 8-9.5) 3.09 7.61 -44.65 0 2 -1 18 282.186 2

Activity (Go SEA)

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