UCSF

ZINC97200777

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2014 26 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) 2.04 9.55 -96.91 3 7 2 74 351.458 6
Hi High (pH 8-9.5) 2.04 7.72 -13.21 1 7 0 72 349.442 6
Mid Mid (pH 6-8) 2.04 9.08 -50.72 2 7 1 73 350.45 6

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

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