UCSF

ZINC59415593

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 18 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) 1.35 1.75 -10.04 1 5 0 62 267.354 3
Hi High (pH 8-9.5) 1.35 1.99 -50.15 0 5 -1 64 266.346 3
Mid Mid (pH 6-8) 1.35 4.1 -49.08 2 5 1 63 268.362 3
Mid Mid (pH 6-8) 1.35 4.33 -59.36 1 5 0 65 267.354 3

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

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