UCSF

ZINC21698002

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 24 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) 1.03 6.73 -42.5 3 6 1 68 331.44 6
Hi High (pH 8-9.5) 1.03 3.74 -7.95 2 6 0 66 330.432 6

Activity (Go SEA)

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