UCSF

ZINC37320209

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 21 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) 0.18 5.22 -64.73 2 5 1 69 306.411 4
Hi High (pH 8-9.5) 0.18 5.05 -18.12 1 5 0 64 305.403 4
Mid Mid (pH 6-8) 0.18 5.73 -138.08 3 5 2 70 307.419 4
Mid Mid (pH 6-8) 0.18 5.56 -47.78 2 5 1 65 306.411 4

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

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