UCSF

ZINC41909110

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2010 18 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) 0.38 3.5 -24.71 1 6 0 75 284.366 2
Hi High (pH 8-9.5) 0.57 1.83 -52.81 0 6 -1 82 283.358 2

Activity (Go SEA)

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