UCSF

ZINC21698563

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 31 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) 2.95 9.82 -45.53 3 6 1 68 433.454 7
Hi High (pH 8-9.5) 2.95 7.68 -8.07 2 6 0 66 432.446 7
Hi High (pH 8-9.5) 3.13 7.03 -44.48 1 6 -1 73 431.438 7

Activity (Go SEA)

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