UCSF

ZINC49531848

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2010 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) 1.32 0.32 -37.59 0 5 -1 75 237.26 3
Mid Mid (pH 6-8) 0.86 3.14 -6.81 1 5 0 72 238.268 3

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

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