UCSF

ZINC65532579

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 25 Yes

Other Names:

MFCD01030876

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) 2.06 2.95 -47.16 3 7 1 94 337.359 4
Hi High (pH 8-9.5) 2.06 1.64 -22.68 2 7 0 89 336.351 4

Activity (Go SEA)

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

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