UCSF

ZINC32547724

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.60 8.34 -30.65 2 4 1 43 277.388 8
Hi High (pH 8-9.5) 2.60 6.12 -4.79 1 4 0 42 276.38 8
Lo Low (pH 4.5-6) 2.60 8.65 -116.17 3 4 2 47 278.396 8

Activity (Go SEA)

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