UCSF

ZINC68849776

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2011 19 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) 2.35 7.91 -56.03 0 5 -1 71 252.253 2
Lo Low (pH 4.5-6) 2.35 8.12 -46.7 1 5 0 72 253.261 2

Activity (Go SEA)

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

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