UCSF

ZINC39911599

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 35 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) 5.26 10.26 -11.38 2 7 0 88 469.541 7
Hi High (pH 8-9.5) 5.03 9.99 -59.78 0 7 -1 87 468.533 7
Hi High (pH 8-9.5) 5.03 10.64 -56.47 0 7 -1 87 468.533 7
Hi High (pH 8-9.5) 5.26 11.03 -51.26 1 7 -1 91 468.533 7

Activity (Go SEA)

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