UCSF

ZINC38137516

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2009 19 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) 3.13 3.7 -59.61 3 5 1 79 302.445 2
Hi High (pH 8-9.5) 3.14 2.32 -13.71 2 5 0 74 301.437 2
Mid Mid (pH 6-8) 2.21 1.82 -47.25 1 5 -1 73 300.429 3

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

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