UCSF

ZINC37309333

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.11 -0.06 -53.5 3 8 -1 146 326.335 4
Hi High (pH 8-9.5) 0.56 -2.04 -126.68 2 8 -2 149 325.327 4
Mid Mid (pH 6-8) 0.10 -0.63 -71.1 3 8 -1 146 326.335 4

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

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