UCSF

ZINC39912073

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 29 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) 5.47 9.7 -9.93 2 5 0 69 428.319 4
Hi High (pH 8-9.5) 5.24 9.57 -51.13 0 5 -1 68 427.311 4
Hi High (pH 8-9.5) 5.24 9.51 -49.09 0 5 -1 68 427.311 4
Hi High (pH 8-9.5) 5.47 10.52 -40.24 1 5 -1 72 427.311 4

Activity (Go SEA)

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