UCSF

ZINC66066188

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 34 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) 4.15 9.35 -19.71 2 9 0 133 462.41 8
Hi High (pH 8-9.5) 4.15 11.1 -105.17 0 9 -2 138 460.394 8
Hi High (pH 8-9.5) 4.15 10.11 -51.19 1 9 -1 135 461.402 8

Activity (Go SEA)

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

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