UCSF

ZINC02793001

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 16 No

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) 1.60 7.87 -83.81 0 6 -2 61 254.344 3
Mid Mid (pH 6-8) 0.87 7.82 -36.04 1 6 -1 64 255.352 3

Activity (Go SEA)

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

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