UCSF

ZINC49578525

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 23 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) 2.06 6.33 -55.99 1 8 0 111 340.405 5
Hi High (pH 8-9.5) 2.06 3.87 -12.04 1 8 0 108 340.405 5
Hi High (pH 8-9.5) 2.06 4.11 -47.31 0 8 -1 110 339.397 5

Activity (Go SEA)

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