UCSF

ZINC39912252

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 31 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) 4.94 10.36 -12.12 2 5 0 69 409.489 4
Hi High (pH 8-9.5) 4.94 11.2 -36.79 1 5 -1 72 408.481 4

Activity (Go SEA)

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