UCSF

ZINC25461861

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 28 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) 3.62 7.12 -69.51 3 7 1 89 511.194 6
Hi High (pH 8-9.5) 4.08 4.93 -47.81 1 7 -1 90 509.178 6
Mid Mid (pH 6-8) 4.08 7.2 -48.4 2 7 0 92 510.186 6
Lo Low (pH 4.5-6) 3.62 8.2 -62.75 3 7 1 89 511.194 6

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

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