UCSF

ZINC67491106

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 25 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) 4.24 10.15 -35.9 3 4 1 53 334.443 3
Hi High (pH 8-9.5) 4.24 8.36 -8.96 2 4 0 52 333.435 3
Mid Mid (pH 6-8) 4.24 8.81 -33.23 3 4 1 53 334.443 3

Activity (Go SEA)

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

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