UCSF

ZINC35498569

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 29 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) 4.19 11.94 -46.53 2 5 1 56 405.534 13
Hi High (pH 8-9.5) 4.19 11.11 -10.07 1 5 0 55 404.526 13

Activity (Go SEA)

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