UCSF

ZINC69948405

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 16 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) -1.34 -3.07 -42.43 2 9 -1 128 242.244 4
Lo Low (pH 4.5-6) -1.34 -3.09 -18.03 3 9 0 129 243.252 4

Activity (Go SEA)

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

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