UCSF

ZINC43968517

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.78 9.16 -109.79 3 3 2 30 294.483 9
Hi High (pH 8-9.5) 3.78 5.53 -2.88 1 3 0 24 292.467 9
Hi High (pH 8-9.5) 3.78 7.11 -39.31 2 3 1 29 293.475 9
Mid Mid (pH 6-8) 3.78 7.98 -29.94 2 3 1 26 293.475 9

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