UCSF

ZINC39701242

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2010 28 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) 1.76 7.92 -37.42 1 10 0 120 396.436 4
Hi High (pH 8-9.5) 1.94 6.6 -57.28 0 10 -1 127 395.428 4

Activity (Go SEA)

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