UCSF

ZINC62988121

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 17 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) 1.71 2.05 -8.05 3 5 0 88 229.239 2
Hi High (pH 8-9.5) 1.85 -0.56 -46.58 2 5 -1 91 228.231 2
Mid Mid (pH 6-8) 1.84 2.51 -38.99 4 5 1 88 230.247 3

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

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