UCSF

ZINC62461535

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2011 20 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) 1.34 4.5 -38.99 2 5 1 55 283.392 7
Mid Mid (pH 6-8) 1.34 3 -6.42 1 5 0 51 282.384 7
Mid Mid (pH 6-8) 1.34 6.75 -114.57 3 5 2 57 284.4 7
Lo Low (pH 4.5-6) 1.34 5.22 -43.56 2 5 1 52 283.392 7

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

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