UCSF

ZINC42091354

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 2.30 5.77 -17.66 2 7 0 97 384.823 5
Hi High (pH 8-9.5) 2.76 3.92 -57.93 1 7 -1 100 383.815 5
Lo Low (pH 4.5-6) 2.30 6.23 -52.74 3 7 1 98 385.831 5

Activity (Go SEA)

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