UCSF

ZINC35834593

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 31 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) 3.42 9.63 -17.53 1 6 0 66 428.414 6
Lo Low (pH 4.5-6) 3.42 10.09 -50.94 2 6 1 67 429.422 6

Activity (Go SEA)

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