UCSF

ZINC13130880

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 28 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) 2.63 10.66 -11.18 1 8 0 88 398.341 7
Hi High (pH 8-9.5) 1.88 9.62 -38.49 0 8 -1 94 397.333 6

Activity (Go SEA)

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