UCSF

ZINC36272033

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 28 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) 3.15 8.6 -78.35 4 6 2 61 381.524 5
Hi High (pH 8-9.5) 3.15 7.19 -10.53 2 6 0 59 379.508 5
Mid Mid (pH 6-8) 3.15 9.45 -46.06 3 6 1 60 380.516 5
Mid Mid (pH 6-8) 3.15 6.34 -27.23 3 6 1 60 380.516 5

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