UCSF

ZINC37715738

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 20 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) 1.50 10.06 -54.2 0 5 -1 69 270.312 4
Lo Low (pH 4.5-6) 1.50 10.53 -51.15 1 5 0 70 271.32 4

Activity (Go SEA)

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

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