UCSF

ZINC42581355

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 16 No

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) 2.47 7.4 -6.99 1 3 0 34 239.388 3
Hi High (pH 8-9.5) 3.20 7.67 -47.06 0 3 -1 31 238.38 3

Activity (Go SEA)

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