UCSF

ZINC35498640

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 5.22 -8.99 1 5 0 41 375.488 9
Mid Mid (pH 6-8) 2.33 7.18 -44.28 2 5 1 42 376.496 9
Lo Low (pH 4.5-6) 2.33 7.49 -39.73 2 5 1 42 376.496 9

Activity (Go SEA)

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