UCSF

ZINC62039643

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 32 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) 4.80 10.9 -17.34 1 6 0 63 445.592 4
Mid Mid (pH 6-8) 4.80 13.63 -56.99 2 6 1 64 446.6 4
Mid Mid (pH 6-8) 4.80 11.37 -32.29 2 6 1 64 446.6 4
Lo Low (pH 4.5-6) 4.80 14.1 -78.19 3 6 2 65 447.608 4

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

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