UCSF

ZINC42881581

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.63 7.42 -13.94 2 7 0 87 364.405 4
Lo Low (pH 4.5-6) 2.63 7.88 -43.62 3 7 1 89 365.413 4

Activity (Go SEA)

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