UCSF

ZINC21698006

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 25 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.54 7.21 -42.16 3 6 1 68 345.467 6
Hi High (pH 8-9.5) 1.54 4.23 -7.6 2 6 0 66 344.459 6

Activity (Go SEA)

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