UCSF

ZINC39912300

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 32 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) 5.06 10.5 -10.51 2 5 0 69 427.479 4
Hi High (pH 8-9.5) 4.83 11.97 -46.32 0 5 -1 68 426.471 4
Hi High (pH 8-9.5) 4.83 11.06 -49.22 0 5 -1 68 426.471 4
Hi High (pH 8-9.5) 5.06 12.09 -38.57 1 5 -1 72 426.471 4

Activity (Go SEA)

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