UCSF

ZINC39557173

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 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) 4.33 8.56 -16.43 1 7 0 79 438.524 8
Lo Low (pH 4.5-6) 4.33 9.08 -46.2 2 7 1 80 439.532 8

Activity (Go SEA)

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