UCSF

ZINC39882445

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.82 12.33 -14.02 0 5 0 46 440.543 6
Lo Low (pH 4.5-6) 4.82 14.12 -49.99 1 5 1 47 441.551 6

Activity (Go SEA)

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