UCSF

ZINC32118587

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 28 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) 5.07 11.9 -16.76 1 9 0 134 400.416 7
Hi High (pH 8-9.5) 5.14 10.97 -37.12 0 9 -1 140 399.408 7

Activity (Go SEA)

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