UCSF

ZINC40177465

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 22 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) 0.47 1.12 -135.97 4 6 2 101 354.538 9
Hi High (pH 8-9.5) 0.47 -0.07 -70.07 3 6 1 97 353.53 9
Hi High (pH 8-9.5) 0.47 -1.22 -21.22 2 6 0 92 352.522 9

Activity (Go SEA)

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