UCSF

ZINC70304316

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2011 17 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) 0.09 0.51 -119.83 3 6 2 73 238.291 6
Hi High (pH 8-9.5) 0.09 -0.93 -41.38 2 6 1 69 237.283 6
Mid Mid (pH 6-8) 0.09 -1.81 -47.26 2 6 1 72 237.283 6

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

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