UCSF

ZINC36639398

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 22 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) 3.36 6.4 -41.96 3 5 1 68 400.709 4
Hi High (pH 8-9.5) 3.36 5.35 -12.41 2 5 0 66 399.701 4
Hi High (pH 8-9.5) 3.54 4.69 -30.19 2 5 0 74 399.701 4
Hi High (pH 8-9.5) 3.54 3.57 -46.61 1 5 -1 73 398.693 4

Activity (Go SEA)

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