UCSF

ZINC11840091

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2008 32 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.02 -2.27 -14.54 1 6 0 75 445.544 5
Lo Low (pH 4.5-6) 3.02 -2.21 -48.48 2 6 1 77 446.552 5

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.