UCSF

ZINC62605597

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 18 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) 2.50 7.3 -27.19 2 3 1 31 242.346 3
Hi High (pH 8-9.5) 2.50 6.88 -9.32 1 3 0 30 241.338 3
Lo Low (pH 4.5-6) 2.50 8.22 -51.37 2 3 1 34 242.346 3

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

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