UCSF

ZINC39911839

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.09 10.02 -15.99 2 7 0 88 461.562 9
Hi High (pH 8-9.5) 4.86 10.34 -51.81 0 7 -1 87 460.554 9
Hi High (pH 8-9.5) 4.86 10.6 -59.24 0 7 -1 87 460.554 9
Hi High (pH 8-9.5) 5.09 11 -41.14 1 7 -1 91 460.554 9

Activity (Go SEA)

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