UCSF

ZINC62971167

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 16 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) 0.04 3.49 -90.51 4 5 2 61 223.324 3
Hi High (pH 8-9.5) 0.04 0.7 -9.97 2 5 0 58 221.308 3
Mid Mid (pH 6-8) 0.04 1.1 -47.58 3 5 1 60 222.316 3

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

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