UCSF

ZINC10511818

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2007 30 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) 1.48 -4.72 -57.91 2 10 -1 143 437.45 10
Hi High (pH 8-9.5) 1.48 -4.27 -131.85 1 10 -2 145 436.442 10

Activity (Go SEA)

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

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