UCSF

ZINC06420527

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 21 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) 0.72 6.47 -52.62 3 8 1 93 293.351 1
Hi High (pH 8-9.5) 0.72 5.32 -8.36 2 8 0 88 292.343 1
Hi High (pH 8-9.5) 0.24 5.18 -57.29 2 8 0 96 292.343 1
Hi High (pH 8-9.5) 0.24 4.02 -41.61 1 8 -1 91 291.335 1

Activity (Go SEA)

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