UCSF

ZINC62605485

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 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) 2.09 6.09 -32.75 2 3 1 31 268.262 2
Hi High (pH 8-9.5) 2.09 5.66 -9.03 1 3 0 30 267.254 2
Lo Low (pH 4.5-6) 2.09 7 -53.71 2 3 1 34 268.262 2

Activity (Go SEA)

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

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