UCSF

ZINC53517379

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 27 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) 2.05 7.42 -38.19 2 7 1 77 382.469 3
Hi High (pH 8-9.5) 2.05 7.46 -19.35 1 7 0 75 381.461 3

Activity (Go SEA)

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

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