UCSF

ZINC35852125

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 32 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) 5.27 14.83 -43.52 2 5 1 50 429.588 6
Lo Low (pH 4.5-6) 5.27 15.18 -99.45 3 5 2 51 430.596 6

Activity (Go SEA)

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