UCSF

ZINC34983092

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 0.79 1.8 -113.04 5 5 2 71 318.417 1
Hi High (pH 8-9.5) 0.79 0.34 -7.72 3 5 0 68 316.401 1
Mid Mid (pH 6-8) 0.79 0.28 -47.2 4 5 1 70 317.409 1

Activity (Go SEA)

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