UCSF

ZINC35498638

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 27 Yes

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) 2.33 6.16 -6.91 1 5 0 41 375.488 9
Mid Mid (pH 6-8) 2.33 6.91 -40.01 2 5 1 42 376.496 9
Lo Low (pH 4.5-6) 2.33 8.43 -48.48 2 5 1 42 376.496 9

Activity (Go SEA)

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